Sonomolide B
Basic information
- CAS
172486-69-0- Standard SMILES
C=CC1=CC[C@H]2[C@@H](C[C@H]3OC(=O)[C@@]4(C)[C@@H](O)CC[C@@]2(C)[C@@]34O)[C@H]1C- InChIKey
HQKRCEBCNPNBKW-JTKBMLCESA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Overview
Sonomolide B is a naphthofuran.
Names & identifiers
- Preferred name
- Sonomolide B
- IUPAC
- (1R,2S,6R,7S,9R,12S,13S,16S)-5-ethenyl-13,16-dihydroxy-1,6,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one
Names & synonyms
Sonomolide B172486-69-04H-Phenanthro(10,1-bc)furan-4-one, 8-ethenyl-1,2,3,3a,5a,6,6a,7,10,10a,10b,10c-dodecahydro-3,10c-dihydroxy-3a,7,10b-trimethyl-, (3R,3aR,5aS,6aR,7S,10aR,10bS,10cR)-rel-(+)-(1R,2S,6R,7S,9R,12S,13S,16S)-5-ethenyl-13,16-dihydroxy-1,6,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-4-en-11-one(1R,2S,6R,7S,9R,12S,13S,16S)-5-ethenyl-13,16-dihydroxy-1,6,12-trimethyl-10-oxatetracyclo(7.6.1.02,7.012,16)hexadec-4-en-11-one4H-Phenanthro[10,1-bc]furan-4-one, 8-ethenyl-1,2,3,3a,5a,6,6a,7,10,10a,10b,10c-dodecahydro-3,10c-dihydroxy-3a,7,10b-trimethyl-, (3R,3aR,5aS,6aR,7S,10aR,10bS,10cR)-rel-(+)-RefChem:184332dihydroxy-trimethyl-vinyl-[?]oneDTXSID10938163CHEBI:21901313-Ethenyl-3,5-dihydroxy-14-methyl-6,15-epoxypodocarp-12-en-15-one13-Ethenyl-3beta,5-dihydroxy-14alpha-methyl-6beta-6,15-epoxypodocarp-12-en-15-one
Database identifiers
- CAS
172486-69-0- PubChem CID
- 465971
- DTXSID
DTXSID10938163- ChEBI
CHEBI:219013
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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