NCS
中国新化学物质查询
豆甾-4-烯-3,6-二酮(Stigmast-4-ene-3,6-dione)
3,6-dioxostigmast-4-ene, stigmasta-4-ene-3,6-dione, Stigmast-4-ene-3,6-dione, stigmasta-4-en-3,6-dione, D4-Sitosterol-3,6-dione, stigmast-4-en-3,6-dione
CAS号: 23670-94-2
IUPAC名称: (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
分子式: C29H46O2
分子量: 426.674
InChI: InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey: UVFOCYGYACXLAY-ZDQUCUCBSA-N
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C)C(C)C
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