8alpha-Podocarpan-15-oic acid,12alpha-epidioxy-13alpha,14alpha-epoxy-13-isopropyl-, methyl ester
Basic information
- CAS
25859-65-8- Standard SMILES
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC4OO[C@@]3(CC[C@H]21)[C@H]1O[C@@]41C(C)C- InChIKey
JXEACGHXWMSLSW-BLVMBIOHSA-N- Molecular formula
- C21H32O5
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22497412
Names & identifiers
- Preferred name
- 8alpha-Podocarpan-15-oic acid,12alpha-epidioxy-13alpha,14alpha-epoxy-13-isopropyl-, methyl ester
- IUPAC
- methyl (1R,4R,5R,9S,10R,13R,15S)-5,9-dimethyl-13-propan-2-yl-14,16,17-trioxapentacyclo[10.3.2.01,10.04,9.013,15]heptadecane-5-carboxylate
Names & synonyms
NSC-1461878.alpha.-Podocarpan-15-oic acid,12.alpha.-epidioxy-13.alpha.,14.alpha.-epoxy-13-isopropyl-, methyl ester
Database identifiers
- CAS
25859-65-8- PubChem CID
- 286950
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…