Methyl(3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate

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Catalog Number
ACM7432442
Product Name
Methyl(3alpha,5beta,7alpha,12alpha)-7-acetoxy-3,12-dihydroxycholan-24-oate
Structure
Structure
CAS
7432-44-2
Category
Heterocyclic Organic Compound
Synonyms
MolPort-003-910-371, NSC204979, CID307182, 7432-44-2
IUPAC Name
methyl 4-(7-acetyloxy-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Molecular Weight
464.635 g/mol
Molecular Formula
C27H44O6
Canonical SMILES
CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)OC(=O)C)O)C
InChI Key
MQMDKPZWEWBJGP-UHFFFAOYSA-N
Boiling Point
550.7ºC at 760 mmHg
Flash Point
172.9ºC
Density
1.15g/cm³
EC Number
231-078-6
Exact Mass
464.31400
H-Bond Acceptor
6
H-Bond Donor
2
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