Basic information
- CAS
41756-46-1- Standard SMILES
CC(=O)OCC1CC23CCC4C(C)(C=O)CCCC4(C)C2CCC1C3- InChIKey
AXCCTUATUTWPBD-UHFFFAOYSA-N- Molecular formula
- C22H34O3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.25079494
Overview
Ent-17-Acetoxy-16b-kauran-19-al is a kaurane diterpenoid.
Names & identifiers
- Preferred name
- ent-17-Acetoxy-16b-kauran-19-al
- IUPAC
- (5-formyl-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate
Names & synonyms
ent-17-Acetoxy-16b-kauran-19-al18-Oxokauran-17-yl acetate #AXCCTUATUTWPBD-UHFFFAOYSA-NCHEBI:230002Kauran-18-al, 17-(acetyloxy)-, (4.beta.)-(5-ormyl-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate{5-formyl-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-14-yl}methyl acetate
Database identifiers
- CAS
41756-46-1- PubChem CID
- 536366
- ChEBI
CHEBI:230002
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 572
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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