3,25-Dihydroxy-(3beta,5z,7e)-9,10-secoergosta-5,7,10(19)-trien-1-one

CAS

108387-51-5

Catalog Number

ACM108387515

Category

Other Products

Molecular Weight

428.647160 [g/mol]

Molecular Formula

C28H44O3

MSDS COA Spec Sheet

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Specification

Synonyms

Carcinomedin, 1-Keto-24-methylcalcifediol, 1-Ceto-24-methyl-calcifediol, CID6439174, 1-Keto-24-methyl-25-hydroxycholecalciferol, 9,10-Secoergosta-5,7,10(19)-trien-1-one, 3,25-dihydroxy-, (3beta,5Z,7E)-, 108387-51-5

IUPAC Name

(3Z,5S)-3-[(2E)-2-[(1S,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-2-methylidenecyclohexan-1-one

Canonical SMILES

CC(CCC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(=O)C3=C)O)C

InChI Key

VJDIEVNLNBFADS-BGNSBDTKSA-N

Boiling Point

573.4ºC at 760 mmHg

Flash Point

314.6ºC

Density

1.05g/cm³

Exact Mass

428.32900