6-Nitrocholest-5-en-3-beta-yl acetate

CAS
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CAS
1912-54-5
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Catalog Number

ACM1912545

Product Name

6-Nitrocholest-5-en-3-beta-yl acetate

Structure

CAS

1912-54-5

Category

Heterocyclic Organic Compound

Synonyms

5-CHOLESTEN-6-NITRO-3BETA-OL 3-ACETATE;5-CHOLESTEN-6-NITRO-3-BETA-OL ACETATE;6-NITROCHOLESTERYL ACETATE;6-nitrocholest-5-en-3-beta-yl acetate;6-Nitrocholest-5-en-3β-ol acetate;3beta-Acetoxy-6-nitrocholestene-5;Einecs 217-623-0

IUPAC Name

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Molecular Weight

473.69

Molecular Formula

C₂₉H₄₇NO₄

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=C4C3(CCC(C4)OC(=O)C)C)[N+](=O)[O-])C

InChI Key

HBNDZPJHNAAEAB-XGRWYXQASA-N

Boiling Point

546.5ºC at 760mmHg

Flash Point

167.2ºC