Basic information
- CAS
95263-32-4- Standard SMILES
CC(C)c1cc2c(cc1O)C(O)C1(O)CCCC(C)(C)[C@H]1CC2- InChIKey
PNHKTXLBKGDTNY-PGYGNJIDSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- Pisiferadinol
- IUPAC
- (11R)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-3,5,7-triene-1,2,5-triol
Names & synonyms
NSC60849195263-32-4PisiferadinolPisifieradinolDTXSID40326675NSC-608491(11aR)-1,1-Dimethyl-8-(propan-2-yl)-1,2,3,4,5,10,11,11a-octahydro-4aH-dibenzo[a,d][7]annulene-4a,5,7-triolFrom the seeds of Chamaecyparis pisifera 4aH-Dibenzo[a,5,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl- 8-(1-methylethyl)-, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-
Database identifiers
- CAS
95263-32-4- PubChem CID
- 355229
- DTXSID
DTXSID40326675
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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