Mokko Lactone
Basic information
- CAS
4955-03-7- Standard SMILES
C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12- InChIKey
UJADCNYXDHHISU-PEDHHIEDSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Overview
Mokkolactone has been reported in Brachylaena discolor var. transvaalensis with data available.
Names & identifiers
- Preferred name
- Mokko Lactone
- IUPAC
- (3S,3aS,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
Names & synonyms
mokko lactone(3S,3aS,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one(3S,3aS,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno(4,5-b)furan-2-oneRefChem:926024mokkolactone4955-03-7(+)-MokkolactoneDehydrodihydrocostus lactoneCHEMBL453274SCHEMBL29409720DTXSID80964252Azuleno(4,5-b)furan-2(3H)-one, decahydro-3-methyl-6,9-bis(methylene)-, (3S,3aS,6aR,9aR,9bS)-
Show more names
(+)-11alpha,13-Dihydrodehydrocostuslactone3-Methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one(3S,3aS,6aR,9aR,9bS)-3-Methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
Database identifiers
- CAS
4955-03-7- PubChem CID
- 167495
- DTXSID
DTXSID80964252- ChEMBL
CHEMBL453274- Nikkaji
- J498.757H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 396
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Related reactions
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Compound notes
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