42608397 CDK 0409211652 33 36 0 0 0 0 0 0 0 0999 V2000 2.0920 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -3.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -3.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.3747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 0.6262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3616 -0.8684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8268 -0.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 -1.7277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 -0.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8033 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 1.4103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5969 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 1.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -2.1812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3680 -0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -1.7337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8149 -0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 -3.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1544 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 0.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 1 0 0 0 2 26 1 0 0 0 0 3 26 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 1 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 32 1 6 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 1 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 15 16 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 6 0 0 0 18 23 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 6 0 0 0 22 23 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > CHEBI:169039 > 4-carboxy-5-cholesta-8,24-dien-3-ol > 2 > (3S,4S,5S,10S,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid > C28H44O3 > 428.657 > 428.32905 > 0 > O[C@@H]1[C@H]([C@]2([C@@](C3=C(C4[C@@]([C@](CC4)([C@@H](CCC=C(C)C)C)[H])(CC3)C)CC2)(CC1)C)[H])C(O)=O > InChI=1S/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21?,23+,24+,25+,27-,28-/m1/s1 > JHIWIFRQJXLNEU-CEDIQTLQSA-N > LMST01010152 $$$$