Hymenin

HCID 10499

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Basic information

CAS: 20555-04-8
Standard SMILES: C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@]1(O)C=CC(=O)[C@@]21C
InChIKey: LLQCRTZROWMVOL-DYDIJXKYSA-N
Molecular formula: C15H18O4
Average molar mass: 262.3 g/mol
Monoisotopic mass: 262.12050905

Overview

Hymenin has been reported in Parthenium confertum, Parthenium hysterophorus, and other organisms with data available.

Names & identifiers

Preferred name: Hymenin
IUPAC: (3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione

Names & synonyms

Hymenin20555-04-8(3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-2,9-dione(3aS,6S,6aR,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3aH-azuleno(8,7-b)furan-2,9-dioneRefChem:147325EpipartheninCHEMBL312004SCHEMBL29711376DTXSID801383798NS000940251beta,10alphaH-Ambrosa-2,11(13)-dien-12-oic acid, 1,6beta-dihydroxy-4-oxo-, gamma-lactoneAzuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3aS,6S,6aR,9aS,9bR)-

Show more names

Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6abeta,9abeta,9balpha))-

Database identifiers

CAS: 20555-04-8
PubChem CID: 10499
DTXSID: DTXSID801383798

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 520

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Compound notes

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