豆甾-5-烯-3-醇,3-苯甲酸酯,(3b)-(1900-52-3)名称与标识符
名称
英文别名:
Stigmast-5-en-3-ol,3-benzoate, (3b)-;(3beta)-stigmast-5-en-3-yl benzoate;[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate;Einecs 217-597-0;DTXSID40940537;stigmast-5-en-3-yl benzoate;SCHEMBL24015450;NS00046194;1900-52-3;
标识符
InChIKey:
WFQRUMHMFCGSRO-XKKOIZAZSA-N
Inchi:
1S/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3/t25-,26-,29+,30+,31-,32+,33+,35+,36-/m1/s1
SMILES:
O(C(C1C=CC=CC=1)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@H]21