11541511 -OEChem-04192419022D 89 94 0 1 0 0 0 0 0999 V2000 11.3900 2.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9141 0.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 -2.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9207 2.5806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3199 -3.4702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3862 1.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5221 1.8616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3823 0.3583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6541 1.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7461 1.8753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7421 2.9169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3274 0.0499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5144 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6503 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5422 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9141 0.8524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6462 3.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8171 1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3785 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 3.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 0.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8712 1.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6344 -0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5847 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0448 -1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4174 1.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6309 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 1.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4174 1.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 2.9314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.9314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 3.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 2.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 0.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 3.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9395 -0.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 -0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9111 -0.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0401 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4360 -0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8721 1.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0847 2.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 2.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7624 3.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1979 1.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0489 3.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 3.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4253 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2235 0.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7585 -0.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3761 -1.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9985 -0.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2116 3.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4133 3.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1299 0.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 0.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3699 0.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 1.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6644 1.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 3.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 2.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2012 -1.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7149 -0.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4248 -1.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4150 1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0374 1.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4198 2.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 3.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 2.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 0.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -0.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 70 1 0 0 0 0 21 2 1 6 0 0 0 2 32 1 0 0 0 0 28 3 1 6 0 0 0 34 3 1 1 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 0 0 0 0 5 38 1 0 0 0 0 6 32 2 0 0 0 0 7 33 2 0 0 0 0 37 8 1 6 0 0 0 8 41 1 0 0 0 0 39 9 1 1 0 0 0 9 86 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 42 1 6 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 6 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 43 1 1 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 26 1 6 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 15 44 1 6 0 0 0 16 21 1 0 0 0 0 16 29 1 6 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 33 1 0 0 0 0 31 73 1 0 0 0 0 32 36 1 0 0 0 0 34 35 1 0 0 0 0 34 74 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 6 0 0 0 38 81 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 M END > 11541511 > 1 > 1080 > 9 > 2 > 6 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFwAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYQADAAAAA== > [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate > acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester > [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate > [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate > [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate > acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester > InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 > JLPDBLFIVFSOCC-XYXFTTADSA-N > 2.4 > 576.32983310 > C32H48O9 > 576.7 > CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O > C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O > 121 > 576.32983310 > 0 > 41 > 13 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 1 6 11 42 6 12 24 6 13 43 5 14 26 6 15 44 6 16 29 6 21 2 6 28 3 6 34 3 5 38 40 6 37 8 6 39 9 5 $$$$