CHEBI:7940 - patchouli alcohol

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ChEBI Name patchouli alcohol
ChEBI ID CHEBI:7940
Definition A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.03,8]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H26O
Net Charge 0
Average Mass 222.36630
Monoisotopic Mass 222.198
InChI InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1
InChIKey GGHMUJBZYLPWFD-CUZKYEQNSA-N
SMILES [H][C@@]12CC[C@@]3(C)[C@@]([H])(C1)[C@@H](C)CC[C@@]3(O)C2(C)C
ChEBI Ontology
Outgoing patchouli alcohol (CHEBI:7940) is a carbotricyclic compound (CHEBI:38032)
patchouli alcohol (CHEBI:7940) is a sesquiterpenoid (CHEBI:26658)
patchouli alcohol (CHEBI:7940) is a tertiary alcohol (CHEBI:26878)
IUPAC Names
(1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
patchoulol
Synonyms Sources
(−)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol ChEBI
(−)-patchouli alcohol ChEBI
(−)-patchoulol ChEBI
[1R-(1α,4β,4aα,6β,8aα)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol NIST Chemistry WebBook
patchoulanol NIST Chemistry WebBook
Patchouli alcohol KEGG COMPOUND
patchouli camphor ChEBI
patchoulic alcohol NIST Chemistry WebBook
patchoulol UniProt
Manual Xrefs Databases
C00003168 KNApSAcK
C09705 KEGG COMPOUND
CPD-11399 MetaCyc
View more database links
Registry Numbers Types Sources
5730219 Reaxys Registry Number Reaxys
5986-55-0 CAS Registry Number ChemIDplus
5986-55-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
20148554 PubMed citation Europe PMC
3038029 PubMed citation Europe PMC
Last Modified
04 August 2014