(4aR,5S,8aS,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-8a,9a-dihydroxy-3,4a,5-trimethylnaphtho(2,3-b)furan-2(4H)-one
Basic information
- CAS
130430-98-7- Standard SMILES
CC1=C2C[C@]3(C)[C@@H](C)CCC[C@]3(O)C[C@]2(O)OC1=O- InChIKey
DUSIVVSRERWIKR-FLCCKXIQSA-N- Molecular formula
- C15H22O4
- Average molar mass
- 266.33 g/mol
- Monoisotopic mass
- 266.15180918
Overview
8beta,10beta-Dihydroxyeremophilenolide has been reported in Synotis erythropappa and Hertia cheirifolia with data available.
Names & identifiers
- Preferred name
- (4aR,5S,8aS,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-8a,9a-dihydroxy-3,4a,5-trimethylnaphtho(2,3-b)furan-2(4H)-one
- IUPAC
- (4aR,5S,8aS,9aS)-8a,9a-dihydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Names & synonyms
130430-98-7(4aR,5S,8aS,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-8a,9a-dihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one(4aR,5S,8aS,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-8a,9a-dihydroxy-3,4a,5-trimethylnaphtho(2,3-b)furan-2(4H)-oneRefChem:209049DTXSID801109738Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-8a,9a-dihydroxy-3,4a,5-trimethyl-, (4aR,5S,8aS,9aS)-
Database identifiers
- CAS
130430-98-7- PubChem CID
- 10754232
- DTXSID
DTXSID801109738- Nikkaji
- J322.844D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 483
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Related reactions
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Compound notes
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