Basic information
- CAS
177742-56-2- Standard SMILES
CC1(O)CCCC2(C)C1CCC13CC(CCC12)C(O)(CO)C3- InChIKey
NICDFCNOCPZHTJ-UHFFFAOYSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Overview
19-Norkaurane-4alpha,16alpha,17-triol has been reported in Annona with data available.
Names & identifiers
- Preferred name
- (4alpha,16alpha)-19-Norkaurane-4,16,17-triol
- IUPAC
- 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-diol
Names & synonyms
(4alpha,16alpha)-19-Norkaurane-4,16,17-triol
Database identifiers
- CAS
177742-56-2- PubChem CID
- 51136563
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Experimental & physicochemical properties
Melting Point263 - 266 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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