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Structure

4-Cholesten-7β-ol-3-one

CAS
25876-54-4
Catalog Number
ACM25876544
Category
Steroidal Compounds
Molecular Weight
400.64
Molecular Formula
C27H44O2

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Specification

Synonyms
4-CHOLESTEN-7-BETA-OL-3-ONE;7-BETA-HYDROXYCHOLESTENONE
IUPAC Name
(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C
InChI Key
IOIZWEJGGCZDOL-BXLWXSRCSA-N
Boiling Point
516.685ºC at 760 mmHg
Flash Point
218.477ºC
Density
1.032g/cm³
Exact Mass
400.33400
H-Bond Acceptor
2
H-Bond Donor
1
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