Methyl (4R,5Z,7E,12alpha,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
Basic information
- CAS
85700-42-1- Standard SMILES
CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@@H](CCC(=O)OC)OC(C)=O- InChIKey
QXSYLWTUKSQQCP-NTJQXXRSSA-N- Molecular formula
- C25H34O7
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.23045342
Overview
Clavulone I is a methyl ester, a clavulone and an acetate ester.
Names & identifiers
- Preferred name
- Methyl (4R,5Z,7E,12alpha,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oate
- IUPAC
- methyl (Z,4R,7E)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
- English name
- (4R,5Z,7E,12S,14Z)-4,12-Bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetren-1-oic acid methyl ester
- Molecular formula
- C25H34O7
- Molecular weight
- 0
Names & synonyms
Clavulone I85700-42-1CHEBI:34642DTXSID40415215methyl (Z,4R,7E)-4-acetyloxy-7-[(2S)-2-acetyloxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoatemethyl 4R,12S-diacetoxy-9-oxo-5Z,7E,10Z,13Z-prostatetraenoate-cyclo[8,12]methyl 4R,12S-diacetoxy-9-oxo-5Z,7E,10Z,13Z-prostatetraenoate-cyclo(8,12)methyl (Z,4R,7E)-4-acetyloxy-7-((2S)-2-acetyloxy-2-((Z)-oct-2-enyl)-5-oxocyclopent-3-en-1-ylidene)hept-5-enoateRefChem:1089205DTXCID90366066Methyl (4R,5Z,7E,12alpha,14Z)-4,12-bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetraen-1-oateClaviridenone d
Show more names
(-)-Clavulone I(-)-Claviridenone d(4R,5Z,7E,12S,14Z)-4,12-Bis(acetyloxy)-9-oxoprosta-5,7,10,14-tetren-1-oic acid methyl ester
methyl (4R,5Z,7E,14Z)-4,12-bis(acetyloxy)-9-oxo-12alpha-prosta-5,7,10,14-tetraen-1-oateFA 25:8;O5LMFA03120001Q27116194
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 788
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Clavulones [FA0312]
Chemistry & industry
Additional notes
DefinitionChEBI: Clavulone I is a clavulone, a methyl ester and an acetate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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