Catalog Number:
AG01CPBA
Chemical Name:
9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate,(3b,5Z,7E)-
CAS Number:
63283-36-3
Molecular Formula:
C27H46O3
Molecular Weight:
418.6523
MDL Number:
MFCD08600001
IUPAC Name:
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;hydrate
InChI:
InChI=1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24-,25+,27-;/m1./s1
InChI Key:
WRLFSJXJGJBFJQ-WPUCQFJDSA-N
SMILES:
OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(CCCC(O)(C)C)C)C)C1.O
UNII:
P6YZ13C99Q
