22833560 CDK 0510212310 30 33 0 0 0 0 0 0 0 0999 V2000 1.6500 -3.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -0.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0993 -1.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8799 -0.2497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3849 -1.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3849 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9196 -1.7443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8799 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6703 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3614 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6703 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 0.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3981 -2.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1413 -3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9259 -0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9435 0.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5852 1.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -2.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1998 1.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0070 1.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 2.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7124 3.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1735 -2.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5727 -0.1409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 6 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 6 0 0 0 5 9 2 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 1 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 13 22 1 6 0 0 0 14 16 1 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > CHEBI:172615 > 5a-Cholesta-8,24-dien-3-one > 2 > (10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one > C27H42O > 382.632 > 382.32357 > 0 > O=C1CC2[C@@](C3=C([C@]4([C@@]([C@](CC4)([C@@H](CCC=C(C)C)C)[H])(CC3)C)[H])CC2)(CC1)C > InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20?,23-,24+,26+,27-/m1/s1 > AUNLIRXIJAVBNM-YBXLEUBGSA-N $$$$