Polhovolide

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Basic information

CAS: 68799-88-2
Standard SMILES: CC(=O)O[C@@]1(C)C[C@H](OC(=O)C(C)C)[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(C)=O)[C@@H]2C(C)=CC[C@H]21
InChIKey: YNZANXMCWKBMJS-JMFNMADFSA-N
Molecular formula: C23H32O8
Average molar mass: 436.5 g/mol
Monoisotopic mass: 436.20971797

Overview

Polhovolide is a sesquiterpene lactone.

Names & identifiers

Preferred name: Polhovolide
IUPAC: [(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate

Names & synonyms

Polhovolide[(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate68799-88-2C09532CHEBI:8284DTXSID60988512Q27108039(3S,3aR,4S,6S,6aR,9aS,9bS)-3,6-Bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate3,6-bis(acetyloxy)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,6,6a,7,9a,9b-decahydroazuleno[4,5-b]furan-4-yl 2-methylpropanoate

Database identifiers

CAS: 68799-88-2
PubChem CID: 442295
DTXSID: DTXSID60988512
ChEBI: CHEBI:8284

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 829

Related reactions

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Compound notes

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