From the seeds of Chamaecyparis pisifera
Basic information
- CAS
99152-14-4- Standard SMILES
CC(C)c1cc2c(cc1O)C[C@@]1(O)CCCC(C)(C)C1CC2- InChIKey
UZNOTFOFROXACM-IJHRGXPZSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- From the seeds of Chamaecyparis pisifera
- IUPAC
- (1S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,5-diol
- English name
- [4aS,(+)]-1,2,3,4,5,10,11,11aα-Octahydro-1,1-dimethyl-8-(1-methylethyl)-4aH-dibenzo[a,d]cycloheptene-4aβ,7-diol
- Molecular formula
- C20H30O2
- Molecular weight
- 302.45
Names & synonyms
NSC608490DTXSID30912849NSC-608490From the seeds of Chamaecyparis pisifera(4aS)-1,1-Dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4aH-dibenzo[a,d][7]annulene-4a,7-diol1,1-Dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4aH-dibenzo[a,d][7]annulene-4a,7-diol4aH-Dibenzo[a,7-diol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl- 8-(1-methylethyl)-,(4aS-trans)-NSC08490NSC-08490NSC 08490Pisiferanol(+)-Pisiferanol
Show more names
[4aS,(+)]-1,2,3,4,5,10,11,11aα-Octahydro-1,1-dimethyl-8-(1-methylethyl)-4aH-dibenzo[a,d]cycloheptene-4aβ,7-diol4aH-Dibenzo[a,d]cycloheptene-4a,7-diol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, (4aS,11aS)-
Database identifiers
- CAS
99152-14-4- PubChem CID
- 355228
- DTXSID
DTXSID30912849
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 439.8 · 439.8±45.0 °C(Predicted)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- pka
- 10.83 · 10.83±0.60(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Lanigerol is a diterpenoid of icetexane type isolated from roots of Salvia lanigera and has been shown to exhibit antibacterial activity. It has a role as a metabolite and an antibacterial agent. It is a diterpenoid, a carbotricyclic compound, a member of phenols and a tertiary alcohol.
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