52931488 CDK 0930221742 35 39 0 0 0 0 0 0 0 0999 V2000 2.0920 -2.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.4696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -1.2946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -1.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -1.2946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 -0.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3616 -1.7127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8034 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.5660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0992 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.5203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5969 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 0.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 2.0713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4717 2.3276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5832 -3.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.5781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0273 1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9207 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3194 3.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6141 1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -1.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 -0.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -3.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 1 1 1 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 1 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 6 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 32 1 1 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 33 1 6 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 6 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 1 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 11 35 1 6 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 6 0 0 0 16 19 1 1 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 24 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 6 0 0 0 21 28 1 1 0 0 0 22 25 1 0 0 0 0 24 25 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M END > CHEBI:193418 > 23,24-dihydro-5alpha-calystanol > 2 > (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(1S,2R,3S)-2-methyl-3-propan-2-ylcyclopropyl]propan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol > C29H50O > 414.718 > 414.38617 > 0 > O[C@@H]1C[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](C[C@@H]5[C@H]([C@@H]5C)C(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] > InChI=1S/C29H50O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h17-27,30H,7-16H2,1-6H3/t18-,19-,20+,21+,22+,23+,24-,25+,26+,27+,28+,29-/m1/s1 > YQSCMUYRADBXNP-OZXSPJJYSA-N > LMST01110011 $$$$