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Structure

11,20-Dioxo-5-beta-pregnan-3-alpha-yl acetate

CAS
1610-52-2
Catalog Number
ACM1610522
Category
Other Products
Molecular Weight
374.513660 [g/mol]
Molecular Formula
C23H34O4

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Specification

Synonyms
NSC23157, 11,20-Dioxopregnan-3-yl acetate, CID95610, EINECS 216-551-7, 11,20-Dioxo-5-beta-pregnan-3-alpha-yl acetate, Pregnane-11,20-dione, 3-(acetyloxy)-, (3.alpha.)-, 5.beta.-Pregnane-11,20-dione, 3.alpha.-hydroxy-, acetate, Pregnane-11,20-dione, 3-(acetyloxy)-, (3.alpha.,5.beta.)-, 1610-52-2
IUPAC Name
(17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl) acetate
Canonical SMILES
CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C
InChI Key
NNMJHVBZUSISMC-UHFFFAOYSA-N
Boiling Point
477.3ºC at 760 mmHg
Flash Point
205.2ºC
Density
1.12g/cm³
EC Number
216-551-7
Exact Mass
374.24600
H-Bond Acceptor
4
H-Bond Donor
0
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