Basic information
- CAS
35727-45-8- Standard SMILES
C=CC1(C)CCC(C(C)C)C(O)C1C(=C)C- InChIKey
WOULTTPZJDSDEI-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
Shyobunol is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 6-epi-Shyobunol
- IUPAC
- 3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
Names & synonyms
6-epi-ShyobunolRefChem:10739091112919-80-8Shyobunolelema-1,3-dien-6.alpha.-olSCHEMBL28926264CHEBI:189889WOULTTPZJDSDEI-UHFFFAOYSA-N3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-olQ678800933-ethenyl-3-methyl-2-(prop-1-en-2-yl)-6-(propan-2-yl)cyclohexan-1-ol[1R-(1alpha,2alpha,3beta,6alpha)]-3-Mthenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)-cyclohexanol
Database identifiers
- CAS
35727-45-8- PubChem CID
- 520758
- ChEBI
CHEBI:189889
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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