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Home > Product > Heterocyclic Organic Compounds > 3,25-Dihydroxy-(3beta,5z,7e)-9,10-secoergosta-5,7,10(19)-trien-1-one

3,25-Dihydroxy-(3beta,5z,7e)-9,10-secoergosta-5,7,10(19)-trien-1-one | CAS Number: 108387-51-5

Catalog Number
ACM108387515
Product Name
3,25-Dihydroxy-(3beta,5z,7e)-9,10-secoergosta-5,7,10(19)-trien-1-one
Structure
CAS Number
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
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
Molecular Weight
428.647160 [g/mol]
Exact Mass
428.32900
Molecular Formula
C28H44O3
Boiling Point
573.4ºC at 760 mmHg
Flash Point
314.6ºC
Density
1.05g/cm3
Purity
96%
SMILES
CC(CCC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(=O)C3=C)O)C
InChIKey
VJDIEVNLNBFADS-BGNSBDTKSA-N
H-Bond Donor
2
H-Bond Acceptor
3
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