5283638 CDK 1106202311 34 37 0 0 0 0 0 0 0 0999 V2000 2.0920 -3.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -1.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -1.7386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1124 -1.3261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 -0.2497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8269 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3617 -1.7443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3219 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8034 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 0.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.6096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0273 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 1.6589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0001 1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7054 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8074 1.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5127 2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1545 3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 -2.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -2.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 -0.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 -0.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 1 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 1 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 31 1 6 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 1 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 33 1 6 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 6 0 0 0 7 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 1 0 0 0 9 11 1 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 6 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 19 22 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 M END > CHEBI:166817 > Clerosterol > 2 > (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol > C29H48O > 412.702 > 412.37052 > 0 > O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC[C@H](CC)C(C)=C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C > InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 > GHGKPLPBPGYSOO-FBZNIEFRSA-N > 2364-23-0 > 2364-23-0 > LMST01040124 $$$$