NCS
中国新化学物质查询
豆甾-3,5-二烯(Stigmasta-3,5-diene)
(8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-乙基-6-甲基庚烷-2-基)-10,13-二甲基-2,7,8,9,10,11,12,13,14,15,16,17-十二氢-1H-环戊二烯并[a]菲, 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS号: 4970-37-0
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
分子式: C29H48
分子量: 396.69100
InChI: InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3/t21-,22-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey: ICCTZARHLGPHMT-BPIBQTEVSA-N
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC=C4)C)C)C(C)C
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