(1R,4S,5S,8R,9S)-4,12-dihydroxy-5-methyl-8-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-11-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
103963-36-6- Standard SMILES
C=C(C)[C@H]1CC[C@]2(C)[C@@H](O)CC[C@@]23C(=O)O[C@@H]1C3O- InChIKey
ZWKJYFGQYZANRE-PDMNRUCYSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Names & identifiers
- Preferred name
- (1R,4S,5S,8R,9S)-4,12-dihydroxy-5-methyl-8-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-11-one
- IUPAC
- (1R,4S,5S,8R,9S)-4,12-dihydroxy-5-methyl-8-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-11-one
- English name
- versicolactone C
- Molecular formula
- C15H22O4
- Molecular weight
- 266.33278
Names & synonyms
SCHEMBL30758144DTXSID80908696(1R,4S,5S,8R,9S)-4,12-dihydroxy-5-methyl-8-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,5]dodecan-11-one(3S,4R,6aS,7S,9aR)-7,10-Dihydroxy-6a-methyl-4-(prop-1-en-2-yl)octahydro-1H-3,9a-methanocyclopenta[c]oxocin-1-one7,10-Dihydroxy-6a-methyl-4-(prop-1-en-2-yl)octahydro-1H-3,9a-methanocyclopenta[c]oxocin-1-oneversicolactone C
Database identifiers
- CAS
103963-36-6- PubChem CID
- 128455
- DTXSID
DTXSID80908696
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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