5,7-Dihydroxy-4a,8-dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-4,9-diyl diacetate
Basic information
- CAS
7706-45-8- Standard SMILES
C=C1C(=O)OC2C(OC(C)=O)C(C)C3C(O)CC(O)C3(C)C(OC(C)=O)C12- InChIKey
DBJWOTDYVYVATC-UHFFFAOYSA-N- Molecular formula
- C19H26O8
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.16276778
Names & identifiers
- Preferred name
- 5,7-Dihydroxy-4a,8-dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-4,9-diyl diacetate
- IUPAC
- (9-acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-4-yl) acetate
Names & synonyms
(3aS)-4beta,9beta-Diacetoxy-3a,4,4a,5,6,7,7aalpha,8,9,9abeta-decahydro-5alpha,7alpha-dihydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2(3H)-oneNSC852505,7-dihydroxy-4a,8-dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-4,9-diyl diacetateDTXSID30998340NSC-85250
Database identifiers
- CAS
7706-45-8- PubChem CID
- 98169
- DTXSID
DTXSID30998340
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 687
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Related reactions
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Compound notes
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