Catalog Number:
AG00BF0T
Chemical Name:
25 26-DIHYDROXYVITAMIN D3*
CAS Number:
29261-12-9
Molecular Formula:
C27H44O3
Molecular Weight:
416.6365
MDL Number:
MFCD03787937
IUPAC Name:
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol
InChI:
InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-/t20-,23+,24-,25+,26?,27-/m1/s1
InChI Key:
QOWCBCXATJITSI-ZLNGONTQSA-N
SMILES:
OCC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)(O)C
