Peurtitol A
Basic information
- CAS
119736-67-3- Standard SMILES
CC(C)=C[C@H](O)C/C(C)=C1\CC[C@](C)(Cl)[C@@H](Br)C1- InChIKey
RFSBZWKXXBPLGT-RQOPNEMTSA-N- Molecular formula
- C15H24BrClO
- Average molar mass
- 335.71 g/mol
- Monoisotopic mass
- 334.06991
Overview
structure given in first source; isolated from Laurencia obtusa
Names & identifiers
- Preferred name
- Peurtitol A
- IUPAC
- (4R,6E)-6-[(3S,4S)-3-bromo-4-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol
- English name
- peurtitol A
- Molecular formula
- C15H24BrClO
- Molecular weight
- 335.71
Names & synonyms
Peurtitol A119736-67-3RefChem:1721796-(3-Bromo-4-chloro-4-methylcyclohexylidene)-2-methyl-2-hepten-4-ol (3S-(1E(R*),3alpha,4beta))-2-Hepten-4-ol, 6-(3-bromo-4-chloro-4-methylcyclohexylidene)-2-methyl-, (3S-(1E(R*),3alpha,4beta))-2-Hepten-4-ol, 6-[(3S,4S)-3-bromo-4-chloro-4-methylcyclohexylidene]-2-methyl-, (4S,6E)-
Database identifiers
- CAS
119736-67-3- PubChem CID
- 3035892
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
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Related reactions
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Compound notes
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