Argenteanone A
Basic information
- CAS
175673-63-9- Standard SMILES
CC(C)=C[C@@H]1O[C@H](O)[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@@]56C[C@@]46CC[C@]23C)[C@@H]1O- InChIKey
JSBYUFYDGNUXMX-ILUCISOKSA-N- Molecular formula
- C30H46O4
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.33960994
Overview
Argenteanone A has been reported in Aglaia argentea with data available.
Names & identifiers
- Preferred name
- Argenteanone A
- IUPAC
- (1S,3R,8R,11S,12S,15R,16R)-15-[(2S,3S,4S,5S)-2,4-dihydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Names & synonyms
Argenteanone A(1S,3R,8R,11S,12S,15R,16R)-15-((2S,3S,4S,5S)-2,4-dihydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl)-7,7,12,16-tetramethylpentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-one(1S,3R,8R,11S,12S,15R,16R)-15-[(2S,3S,4S,5S)-2,4-dihydroxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-oneRefChem:113887175673-63-9NSC691538CHEMBL1995402NSC-691538NCI60_0328499, 21,23-epoxy-21,22-dihydroxy-, (21S,22S,23S)-
Database identifiers
- CAS
175673-63-9- PubChem CID
- 391874
- ChEMBL
CHEMBL1995402- Nikkaji
- J717.828J
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 934
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Related reactions
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Compound notes
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