IUPAC Traditional

(1R,3R,5Z)-5-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

Compound number MolPort-046-590-011
Molecular weight 400.647
InChI key OFHCOWSQAMBJIW-SCEGRCEFSA-N
Molecular formula C27H44O2
DMSO Solubility Unknown
SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@H](O)C1=C
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More Information

Compound identifiers

Compound number
MolPort-046-590-011
CAS number
63181-13-5

Names, Synonyms and 3rd Party Identifiers

(1R,3R,5Z)-5-{2-[(1R,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
(1R,3R,Z)-5-((E)-2-((1R,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)dihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1b,3b,5Z,7E)-
Impurity B of Alfacalcidol
MFCD28978350

InChI

InChI
1/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25?,26-,27-/m1/s1
InChI key
OFHCOWSQAMBJIW-SCEGRCEFSA-N

Formula

Molecular formula
C27H44O2
Molecular weight
400.647

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