PM 92131
Basic information
- CAS
124070-99-1- Standard SMILES
CC1(C)CCC[C@]2(C)[C@@H](c3ccoc3)C(=O)[C@@H]3O[C@]312- InChIKey
AZKOQQKZUKXDQR-DDUYRFODSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- PM 92131
- IUPAC
- (1aR,3R,3aR,7aR)-3-(furan-3-yl)-3a,7,7-trimethyl-3,4,5,6-tetrahydro-1aH-indeno[1,7a-b]oxiren-2-one
Names & synonyms
124070-99-1PM 92131(+-)-PM 92131RefChem:373622Indeno(1,7a-b)oxiren-2(1aH)-one, 3-(3-furanyl)hexahydro-3a,7,7-trimethyl-, (1aalpha,3alpha,3aalpha,7aR*)-CHEMBL34304orb3173074DTXSID00924717Indeno[1,7a-b]oxiren-2(1aH)-one, 3-(3-furanyl)hexahydro-3a,7,7-trimethyl-, (1aR,3R,3aR,7aR)-(-)-PM-921313-(Furan-3-yl)-3a,7,7-trimethylhexahydroindeno[1,7a-b]oxiren-2(1aH)-one(1aR,3R,3aR,7aR)-3-(3-furyl)-3a,7,7-trimethyl-3,4,5,6-tetrahydro-1aH-indeno[1,7a-b]oxiren-2-one
Show more names
(1aR,3R,3aR,7aR)-3-(Furan-3-yl)-3a,7,7-trimethylhexahydroindeno[1,7a-b]oxiren-2(1aH)-oneIndeno(1,7a-b)oxiren-2(1aH)-one, 3-(3-furanyl)hexahydro-3a,7,7-trimethyl-, (1aalpha,3alpha,3aalpha,7aR*)-
Database identifiers
- CAS
124070-99-1- PubChem CID
- 180230
- DTXSID
DTXSID00924717- ChEMBL
CHEMBL34304
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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