谷甾醇(5779-62-4)名称与标识符
名称
英文别名:
Stigmast-5-en-3-ol;SITOSTEROL;β-Sitosterol;5-Stigmasten-3beta-ol;5779-62-4;(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-ol;beta-Sitosterol, 97%;NS00123048;MFCD00003631;SCHEMBL3128216;24-Ethylcholest-5-en-3beta-ol;DTXSID30859124;
标识符
InChIKey:
KZJWDPNRJALLNS-BWRKXDIJSA-N
Inchi:
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23?,24+,25-,26+,27+,28+,29-/m1/s1
SMILES:
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C