6708535 -OEChem-05211306432D 95100 0 1 0 0 0 0 0999 V2000 12.5815 -1.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9834 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9237 -3.1916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -2.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8364 0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8412 3.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -2.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8494 2.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6017 3.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -2.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5815 -0.6432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7155 -1.1432 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5815 0.3568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8494 -0.6432 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9394 -1.1501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8494 0.3568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9314 -2.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7155 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5277 0.6615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5277 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7315 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8335 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1113 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0126 -0.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5815 1.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9960 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 -2.1989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7734 -0.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8384 1.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2520 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7900 1.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9834 1.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -2.1922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7917 2.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1174 2.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.1922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.6889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5923 -2.1856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5961 -1.1856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7243 -2.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2548 -1.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3864 -0.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8494 0.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1140 1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3169 1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1402 0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2767 -1.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0651 -1.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9496 -2.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3407 -2.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4362 -3.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2344 -3.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5722 -0.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5722 0.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4208 -0.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6227 -0.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2015 1.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5815 1.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9615 1.3568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5987 -3.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -3.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8602 -0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 -1.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 -1.8858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -1.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2514 0.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 -3.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7920 2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7905 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2909 1.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 -2.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4274 2.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 2.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 -0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -0.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 -2.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -0.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -2.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -2.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 -3.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9159 1.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 1.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2918 0.2787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -0.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 72 1 0 0 0 0 2 19 1 0 0 0 0 2 36 1 0 0 0 0 20 3 1 1 0 0 0 3 74 1 0 0 0 0 31 4 1 1 0 0 0 4 37 1 0 0 0 0 5 32 2 0 0 0 0 6 34 1 0 0 0 0 6 38 1 0 0 0 0 7 37 1 0 0 0 0 7 42 1 0 0 0 0 8 36 2 0 0 0 0 9 38 2 0 0 0 0 10 40 1 0 0 0 0 10 86 1 0 0 0 0 11 41 1 0 0 0 0 11 45 1 0 0 0 0 12 43 1 0 0 0 0 12 46 1 0 0 0 0 13 46 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 15 48 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 1 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 18 32 1 1 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 20 25 1 0 0 0 0 20 29 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 26 1 0 0 0 0 22 33 1 1 0 0 0 22 53 1 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 31 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 38 1 0 0 0 0 35 77 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 37 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 82 1 0 0 0 0 41 43 1 0 0 0 0 41 83 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 84 1 0 0 0 0 43 85 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 46 47 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 M END > 6708535 > 1 > 1320 > 13 > 3 > 9 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAijSiAAAAAAgAAAACAEAAEgRFBYAIQAiUAAFoAAPIQPK7PzPgAAAAAAAAADCAAYQADAAAYAADAAAAA== > [(3S,5S,10S,11R,13R,14S,17R)-3-(5-acetoxy-3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate > acetic acid [(3S,5S,10S,11R,13R,14S,17R)-3-[(5-acetyloxy-3-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] ester > [(3S,5S,10S,11R,13R,14S,17R)-3-(5-acetyloxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate > [(3S,5S,10S,11R,13R,14S,17R)-3-(5-acetyloxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl)oxy-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] ethanoate > acetic acid [(3S,5S,10S,11R,13R,14S,17R)-3-(5-acetoxy-3-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10-formyl-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] ester > InChI=1S/C34H48O13/c1-17-28(46-19(3)37)29(42-5)27(39)30(44-17)47-21-6-9-32(16-35)26-23(7-10-33(32,40)13-21)34(41)11-8-22(20-12-25(38)43-15-20)31(34,4)14-24(26)45-18(2)36/h12,16-17,21-24,26-30,39-41H,6-11,13-15H2,1-5H3/t17?,21-,22+,23?,24+,26?,27?,28?,29?,30?,31+,32-,33-,34-/m0/s1 > JJSVXWKQLGHFES-QGZYWIHFSA-N > -0.1 > 664.309492 > C34H48O13 > 664.73712 > CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4OC(=O)C)C)C6=CC(=O)OC6)O)C=O)O)OC)OC(=O)C > CC1C(C(C(C(O1)O[C@H]2CC[C@@]3(C4[C@@H](C[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)OC(=O)C)C=O)O)OC)OC(=O)C > 184 > 664.309492 > 0 > 47 > 7 > 7 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 14 1 5 40 10 3 41 11 3 43 12 3 15 24 3 16 28 5 17 19 3 18 32 5 22 33 5 20 3 5 31 4 5 37 4 3 42 44 3 $$$$