Catalog Number:
AG00DB2P
Chemical Name:
1alpha, 24, 25-Trihydroxy VD2
CAS Number:
457048-34-9
Molecular Formula:
C28H44O4
Molecular Weight:
444.6466
MDL Number:
MFCD22124495
IUPAC Name:
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChI:
InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28?/m1/s1
InChI Key:
KRGCLKZOZQUAFK-UAAWEXCDSA-N
SMILES:
OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(C=CC(C(O)(C)C)(O)C)C)C)C1
