Basic information
- CAS
74133-46-3- Standard SMILES
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@@](C)(O)[C@@H]4[C@@H](O)C(=O)O[C@H](C[C@@H]12)[C@]34C- InChIKey
IIIGLEGIVYUBSZ-DLQQLGBXSA-N- Molecular formula
- C20H28O8
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.17841785
Overview
Soulameanone has been reported in Brucea mollis with data available.
Names & identifiers
- Preferred name
- Soulameanone
- IUPAC
- (1R,2S,3S,7S,9R,12R,13S,14S,15S,16R,17R)-3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
Names & synonyms
Soulameanone74133-46-3(1R,2S,3S,7S,9R,12R,13S,14S,15S,16R,17R)-3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione(1R,2S,3S,7S,9R,12R,13S,14S,15S,16R,17R)-3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo(7.7.1.02,7.013,17)heptadec-5-ene-4,11-dioneRefChem:184498Picras-3-ene-2,16-dione, 1,11,12,13,15-pentahydroxy-, (1beta,11beta,12alpha,15beta)-NSC318448NSC-318448
Database identifiers
- CAS
74133-46-3- PubChem CID
- 330352
- Nikkaji
- J13.928I
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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