(1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethylnaphth(1,2-b)oxiren-2(1aH)-one
Basic information
- CAS
55785-58-5- Standard SMILES
C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)CC[C@@H](O)[C@@H]1C- InChIKey
WKZMDQXEUJZALS-OANMRLRGSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
Phomenone is a sesquiterpenoid.
Names & identifiers
- Preferred name
- (1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethylnaphth(1,2-b)oxiren-2(1aH)-one
- IUPAC
- (1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
- English name
- Phomenone
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
Phomenone55785-58-5(1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethylnaphth(1,2-b)oxiren-2(1aH)-one(1aR,6R,7R,7aR,7bR)-4,5,6,7,7a,7b-Hexahydro-6-hydroxy-1a-[1-(hydroxymethyl)ethenyl]-7,7a-dimethylnaphth[1,2-b]oxiren-2(1aH)-oneRefChem:905674(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(1-(hydroxymethyl)vinyl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho(1,2-b)oxiren-2-one(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-oneDTXSID00971165(1ar,6r,7r,7ar,7br)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1ah)-oneCHEBI:8115MEGxm0_000426CHEMBL1172874
Show more names
(1aR)-4,5,6,7,7a,7bα-Hexahydro-6β-hydroxy-1a-[1-(hydroxymethyl)ethenyl]-7α,7aα-dimethylnaphth[1,2-b]oxiren-2(1aH)-oneNaphth[1,2-b]oxiren-2(1aH)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-[1-(hydroxymethyl)ethenyl]-7,7a-dimethyl-, (1aR,6R,7R,7aR,7bR)-
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 494
Chemistry & industry
Additional notes
DefinitionChEBI: Phomenone is a sesquiterpenoid.
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