446512 -OEChem-04252412152D 125131 0 1 0 0 0 0 0999 V2000 4.3107 0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 2.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9857 -0.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 7.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 8.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 1.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4345 4.9620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6266 -5.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 -6.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 -7.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1935 -7.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 -8.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5655 -9.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 -0.1106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1767 1.8894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3107 1.3894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0427 0.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 6.4520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1704 5.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2947 3.4587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3677 -0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 5.9487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4007 1.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9101 7.9486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2986 4.4587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1665 4.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7704 6.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7742 7.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 -1.6494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7781 8.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 4.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 9.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2645 -2.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 9.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0499 9.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 3.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2198 -6.8171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4455 -4.1810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0388 -5.0945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8578 -3.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8131 -7.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8022 -7.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0443 -5.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4009 -8.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 -8.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2253 -6.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -6.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7967 -7.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4400 -4.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 -8.2261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6430 -6.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 -8.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9722 -9.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 2.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2548 -0.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6533 0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6533 1.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 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3.7706 6.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 5.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2786 4.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 4.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5186 4.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3921 9.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 10.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 10.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5211 10.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 10.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 9.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5223 4.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 3.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4369 5.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 -3.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 -5.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -3.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -8.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0543 -6.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -4.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -5.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8436 -8.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5718 -9.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3522 -9.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9970 -8.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 -7.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3539 -7.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 -6.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5049 -4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0567 -4.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3752 -3.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -5.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0264 -6.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -6.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5664 -8.4016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 -8.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 -9.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9399 -9.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1287 -7.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -9.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 21 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 19 1 0 0 0 0 25 4 1 1 0 0 0 5 25 1 0 0 0 0 5 39 1 0 0 0 0 24 6 1 6 0 0 0 6 96 1 0 0 0 0 26 7 1 1 0 0 0 7 99 1 0 0 0 0 8 41 1 0 0 0 0 8 43 1 0 0 0 0 41 9 1 6 0 0 0 9 46 1 0 0 0 0 45 10 1 1 0 0 0 10120 1 0 0 0 0 54 11 1 6 0 0 0 11124 1 0 0 0 0 12 57 1 0 0 0 0 12125 1 0 0 0 0 13 57 2 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 58 1 1 0 0 0 16 24 1 0 0 0 0 16 59 1 6 0 0 0 17 18 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 64 1 6 0 0 0 20 27 1 0 0 0 0 20 34 1 6 0 0 0 20 65 1 0 0 0 0 21 26 1 0 0 0 0 21 31 1 0 0 0 0 21 66 1 6 0 0 0 22 29 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 28 1 0 0 0 0 23 35 1 1 0 0 0 23 69 1 0 0 0 0 24 31 1 0 0 0 0 24 70 1 0 0 0 0 25 30 1 0 0 0 0 25 33 1 0 0 0 0 26 27 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 30 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 32 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 40 2 0 0 0 0 32 37 1 1 0 0 0 32 80 1 0 0 0 0 33 36 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 38 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 44 2 0 0 0 0 37 91 1 0 0 0 0 38 39 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 45 1 0 0 0 0 41 50 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 53 1 1 0 0 0 42100 1 0 0 0 0 43 47 1 0 0 0 0 43101 1 6 0 0 0 44102 1 0 0 0 0 45 48 1 0 0 0 0 45103 1 0 0 0 0 46 49 1 0 0 0 0 46 52 1 6 0 0 0 46104 1 0 0 0 0 47 51 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 48 49 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 50 51 2 0 0 0 0 50111 1 0 0 0 0 51 55 1 0 0 0 0 52 54 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 53114 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 55117 1 0 0 0 0 55118 1 0 0 0 0 55119 1 0 0 0 0 56121 1 0 0 0 0 56122 1 0 0 0 0 56123 1 0 0 0 0 M END > 446512 > 1 > 1520 > 13 > 5 > 10 > AAADcfB8PAAAAAAAAAAAAAAAAAAAASAAAAAkSJEiQAAAAACQAAAAGgAACAAADVSggAICCAAABgCIAiDSCAIAAAAgAAAICAFAAAgRFBIAIQAiUAAFwAAPMAPK6PyOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid > (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid > (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid > (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid > (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-11-oxidanyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methyl-2-oxidanyl-propanoic acid > (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propionic acid > InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s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