avenasterol

Also known as (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, Δ7-avenasterol, delta7-avenasterol

Avenasterol, or Δ-7-Avenasterol is a natural, stigmastane-type sterol.

Chemical data

Formula: C29H48O
Molecular weight: 412.7 g/mol
IUPAC name: (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C
InChIKey: MCWVPSBQQXUCTB-OQTIOYDCSA-N
XLogP: 8.6
Polar surface area: 20.2 Å²
H-bond donors: 1
H-bond acceptors: 1
Formal charge: 0

via PubChem

Wikidata facts

Mass: 412.370516156

Show 4 more facts

chemical formula: C₂₉H₄₈O
found in taxon: Vernonia galamensis
canonical SMILES: OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(=CC)C(C)C)C4(C)CC3
isomeric SMILES: C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C

Sources (2)

via Wikidata · CC0

~1 min read