8(14),15-Sandaracopimaradiene-7,18-diol
Basic information
- CAS
106120-01-8- Standard SMILES
C=CC1(C)C=C2C(O)CC3C(C)(CO)CCCC3(C)C2CC1- InChIKey
FQRUMNRVRNVNSI-UHFFFAOYSA-N- Molecular formula
- C20H32O2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.24023026
Overview
active principle from Tetradenia riparia (Lamiaceae) of Rwanda; structure given in first source
Names & identifiers
- Preferred name
- 8(14),15-Sandaracopimaradiene-7,18-diol
- IUPAC
- 7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-ol
- English name
- 1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecah ydro-9-hydroxy-1,4a,7-trimethyl-
- Molecular formula
- C20H32O2
- Molecular weight
- 0
Names & synonyms
SDMDD106120-01-88(14),15-Sandaracopimaradiene-7,18-diolRefChem:1067027-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-olDTXSID20909925Pimara-8(14),15-diene-7,18-diol7-Ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-9-hydroxy-1,4a,7-trimethyl-1-phenanthrenemethanol1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-9-hydroxy-1,4a,7-trimethyl-1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecah ydro-9-hydroxy-1,4a,7-trimethyl-
Database identifiers
- CAS
106120-01-8- PubChem CID
- 129203
- DTXSID
DTXSID20909925
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
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Related reactions
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Compound notes
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