52931331 CDK 0930221742 35 38 0 0 0 0 0 0 0 0999 V2000 5.1024 -3.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 0.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1927 1.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 -0.0586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5413 -0.8836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8268 -1.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3219 0.1928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3616 -1.3018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 -1.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 -2.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8033 -0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8268 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 -2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -2.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5782 0.9770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1124 -0.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5413 0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -2.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8149 -1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 -2.1670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8345 1.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6418 1.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 2.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9616 3.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2563 2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -1.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 0.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 17 2 1 1 0 0 0 24 3 1 1 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 6 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 1 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 34 1 6 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 1 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 12 35 1 6 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 M END > CHEBI:193181 > Thornasterol A > 2 > (2S)-2-[(3S,5S,6S,8S,10S,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-6-methylheptan-4-one > C27H44O4 > 432.645 > 432.32396 > 0 > O[C@@H]1[C@@]2([C@@](C=3[C@]([C@]4([C@@]([C@](CC4)([C@@](O)(CC(=O)CC(C)C)C)[H])(CC3)C)[H])(C1)[H])(CC[C@H](O)C2)C)[H] > InChI=1S/C27H44O4/c1-16(2)12-18(29)15-27(5,31)24-7-6-20-19-14-23(30)22-13-17(28)8-10-25(22,3)21(19)9-11-26(20,24)4/h9,16-17,19-20,22-24,28,30-31H,6-8,10-15H2,1-5H3/t17-,19-,20-,22+,23-,24-,25+,26-,27-/m0/s1 > VPOAVTZKTUOUHN-GUKQNFHTSA-N > LMST01010319 $$$$