Compound: Patchouli alcohol
SMILES: O[C@]12[C@@]3([C@H]([C@@H](C)CC1)C[C@H](C2(C)C)CC3)C
InChIKey: GGHMUJBZYLPWFD-CUZKYEQNSA-N
Synonyms: Patchouli alcohol, 5986-55-0, patchouli camphor, (-)-patchouli alcohol, HHH8CPR1M2, (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol, 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)-, CHEBI:7940, (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo(5.3.1.03,8)undecan-3-ol, RefChem:858730, (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol;patchoulol, 227-807-2, Patchoulol, Patchoulic alcohol, (-)-patchoulol, patchoulanol, (1r,4s,4as,6r,8as)-octahydro-4,8a,9,9-tetramethyl-1,6-methanonaphthalen-1(2h)-ol, MFCD14702367, solid, (1R,4S,4aS,6R,8aS)-4,8a,9,9-tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol, [1R-(1alpha,4beta,4aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol, Patchoulialkohol, (-)-(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0(3,8)]undecan-3-ol, (1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyldecahydro-1,6-methanonaphthalen-1-ol, UNII-HHH8CPR1M2, crystallization, pacholol, patcholol, patschuli, white, Healingwood, healing wood, Patchoulol Crist, Patchouli alkohol, Patchouli-alcohol, DTXSID9052266, Patchouli Alcohol?, (1R-(1alpha,4beta,4aalpha,6beta,8aalpha))-Octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol, EINECS 227-807-2, Patchouli Oil Terpeneless, Patchouli alcohol (Standard), SCHEMBL108115, PATCHOULI ALCOHOL [MI], CHEMBL4588682, HY-N0207R, octahydro-4,8a,9,9-tetramethyl-, 1,6-METHANONAPHTHALEN-1(2H)-OL, OCTAHYDRO-4,8A,9,9-TETRAMETHYL-, (1R-(1.ALPHA.,4.BETA.,4A.ALPHA.,6.BETA.,8A.ALPHA.))-, HY-N0207, MSK40057, s3778, AKOS015840173, AKOS016011426, CCG-266740, EBC-618398, FP09677, NCGC00482601-01, Octahydro-Tetramethyl-Methano-1-Naphthol, 1,6-Methanonaphthalen-1.beta.(2H)-ol, 3,4,4a.beta.,5,6.beta.,7,8,8a-octahydro-4.alpha.,8a.beta.,9,9-tetramethyl-, AC-34015, CS-0008254, Q7144372, (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0,3,8]undecan-3-ol, (1R-(1a,4b,4aa,6b,8aa))-Octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol 1,6-Methanonaphthalene-1(2H)-ol, [1R-1alpha,4beta,4a-alpha,6beta* 4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
Theoretical properties:
molecular_formula: C15H26O
molecular_weight: 222.37 g/mol
exact_mass: 222.198365449 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 16
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Patchouli alcohol is 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). It is a sesquiterpenoid, a tertiary alcohol and a carbotricyclic compound.
chebi: A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0<small><sup>3,8</small></sup>]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1<i>R</i>,3<i>R</i>,6<i>S</i>,7<i>S</i>,8<i>S</i>-diastereoisomer).
chembl: Unnamed Compound is a unknown listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Patchoulol or patchouli alcohol (C15H26O) is a sesquiterpene alcohol found in patchouli (Pogostemon cablin). Patchouli oil is an important material in perfumery. The (−)-optical isomer is one of the organic compounds responsible for the typical patchouli scent. Patchoulol is obtained industrially from patchouli leaf fermentation.
Patchoulol is also used in the synthesis of the chemotherapy drug Taxol.