Products 19462-13-6

CAS 19462-13-6 is the registry number for 3beta-Acetoxychol-5-enoic Acid. Offered by: TRC. Available pack sizes: 500mg.

3beta-Acetoxychol-5-enoic Acid
TRC
  • size: 500mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid (CAS 19462-13-6) is a chemical compound with the molecular formula C26H40O4 and a molecular weight of 416.6 g/mol. IUPAC name: 4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. InChIKey: JBALICPRCDQXRA-UHFFFAOYSA-N.

Identity
Molecular formulaC26H40O4
Molecular weight416.6 g/mol
IUPAC name4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
InChIKeyJBALICPRCDQXRA-UHFFFAOYSA-N
SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: 3-(Acetyloxy)chol-5-en-24-oic acid
Isomers (same molecular formula)
(4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-6-ethenyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O4
[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-propanoyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate C26H40O4
(4R)-4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O4
(4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O4