(3R,6E)-Nerolidol
Basic information
- CAS
17430-12-5- Standard SMILES
C=C[C@](C)(O)CC/C=C(\C)CCC=C(C)C- InChIKey
FQTLCLSUCSAZDY-GOFCXVBSSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
(3R,6E)-nerolidol is a (6E)-nerolidol in which the hydroxy group at positon 3 adopts an R-configuration. It is a fertility-related volatile compound secreted by the queens of higher termites from the subfamily Syntermitinae. It has a role as an animal metabolite. It is an enantiomer of a (3S,6E)-nerolidol.
Names & identifiers
- Preferred name
- (3R,6E)-Nerolidol
- IUPAC
- (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Names & synonyms
(3R,6E)-nerolidol(3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-olCHEBI:59959RefChem:105028277551-75-8trans-(R)-NerolidolNerolidol, (6E)-(-)-(3R)-(6E)-nerolidolUOC0644V251,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3R,6E)-17430-12-5(E)-nerolidol
Show more names
UNII-UOC0644V25(-)-Nerolidol(e)-(r)-nerolidolNerolidol, (-)-FEMA No. 2772, E-(-)-(-)-(R)-Nerolidol(3R)-(E)-nerolidol(6E)-(-)-nerolidol
Database identifiers
- CAS
17430-12-5、77551-75-8- PubChem CID
- 11241545
- DTXSID
DTXSID901338722- ChEBI
CHEBI:59959- UNII
- UOC0644V25
- Nikkaji
- J742.381K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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