Products 104777-61-9

CAS 104777-61-9 appears in our catalog under these names: 3-Epiakebonoic acid, 3alpha-Akebonoic acid. Offered by: Biosynth, Chemat. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg.

3-Epiakebonoic acid
Biosynth
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 5
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3alpha-Akebonoic acid
Chemat
  • size: 5mg
  • Variants: 1
from 5450.00
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Structural formula: {0} (CAS {1})

(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid (CAS 104777-61-9) is a chemical compound with the molecular formula C29H44O3 and a molecular weight of 440.7 g/mol. IUPAC name: (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid. InChIKey: XWVVPZWKCNXREE-WPLIZOQJSA-N.

Identity
Molecular formulaC29H44O3
Molecular weight440.7 g/mol
IUPAC name(4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKeyXWVVPZWKCNXREE-WPLIZOQJSA-N
SMILESC[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(=C)CC5)C(=O)O)C)C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: 3alpha-Akebonoic acid, 3alpha-Akeboic acid, 3|A-Akebonoic acid, 3-Epiakebonoic acid, 3| cent-Akebonoic acid, 30-Noroleana-12,20(29)-dien-28-oic acid,3-hydroxy-,(3alpha)-
Isomers (same molecular formula)
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate C29H44O3
[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate C29H44O3
2-[(3R,6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione C29H44O3
(1R,2R,5S,8R,9R,10R,13R,14R,18R)-1,2,14,17,17-pentamethyl-16-oxo-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid C29H44O3
(4aS,6aR,6aS,6bR,8aS,9S,12aS,14bS)-2,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C29H44O3