Olguine
Basic information
- CAS
73413-68-0- Standard SMILES
CC(=O)OC(C)C(/C=C/C1OC1C1OC(=O)C=CC1OC(C)=O)OC(C)=O- InChIKey
WSMOXQBLJXEQNX-AATRIKPKSA-N- Molecular formula
- C18H22O9
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.12638228
Overview
isolated from Rabdosia ternifolia; structure in first source
Names & identifiers
- Preferred name
- Olguine
- IUPAC
- [2-[3-[(E)-3,4-diacetyloxypent-1-enyl]oxiran-2-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
- English name
- (5S)-5α-Acetyloxy-6α-[(2S,3S)-3-[(1E,3S,4S)-3,4-bis(acetyloxy)-1-pentenyl]oxiran-2-yl]-5,6-dihydro-2H-pyran-2-one
- Molecular formula
- C18H22O9
- Molecular weight
- 382.37
Names & synonyms
OLGUINE73413-68-0[2-[3-[(E)-3,4-diacetyloxypent-1-enyl]oxiran-2-yl]-6-oxo-2,3-dihydropyran-3-yl] acetateDTXSID00420441(2-(3-((E)-3,4-diacetyloxypent-1-enyl)oxiran-2-yl)-6-oxo-2,3-dihydropyran-3-yl) acetateRefChem:168131DTXCID00371287NSC329498NSC-329498(1E)-1-{3-[3-(Acetyloxy)-6-oxo-3,6-dihydro-2H-pyran-2-yl]oxiran-2-yl}pent-1-ene-3,4-diyl diacetateOlguin(5S)-5α-Acetyloxy-6α-[(2S,3S)-3-[(1E,3S,4S)-3,4-bis(acetyloxy)-1-pentenyl]oxiran-2-yl]-5,6-dihydro-2H-pyran-2-one
Show more names
L-threo-L-altro-Dodeca-2,8-dienonic acid, 6,7-anhydro-2,3,8,9,12-pentadeoxy-, δ-lactone, 4,10,11-triacetate, (8E)- (9CI)
Database identifiers
- CAS
73413-68-0- PubChem CID
- 5477553
- DTXSID
DTXSID00420441
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Boiling point
- 520.3 · 520.3±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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