Podoandin
Basic information
- CAS
142279-47-8- Standard SMILES
CC1=CCC2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12- InChIKey
KQBRXXMGSZOJLH-JSGCOSHPSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Overview
Podoandin has been reported in Podocarpus and Prumnopitys andina with data available.
Names & identifiers
- Preferred name
- Podoandin
- IUPAC
- (3aS,8aS)-1,5,8-trimethyl-4,6,8a,9-tetrahydro-3aH-azuleno[6,5-b]furan-2-one
Names & synonyms
Podoandin142279-47-8DTXSID70161995(3aS,8aS)-1,5,8-trimethyl-4,6,8a,9-tetrahydro-3aH-azuleno[6,5-b]furan-2-one5H,8H-guaia-1(10),3,7(11)-trien-8,12-olide(3aS,8aS)-1,5,8-trimethyl-4,6,8a,9-tetrahydro-3aH-azuleno(6,5-b)furan-2-oneRefChem:174994DTXCID0084486SCHEMBL29409620(4aS,9aS)-3,5,8-Trimethyl-4a,7,9,9a-tetrahydroazuleno[6,5-b]furan-2(4H)-one
Database identifiers
- CAS
142279-47-8- PubChem CID
- 197463
- DTXSID
DTXSID70161995- Nikkaji
- J1.477.554D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 491
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Related reactions
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Compound notes
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