Basic information
- Standard SMILES
CC1=C[C@H]2[C@@]3(O)[C@H](C)[C@@H](O)[C@]4(O)[C@H]([C@@H]3C=C(CO)C[C@]2(O)C1=O)C4(C)C.CCOC(C)=O- InChIKey
QNMMOZRMJJBDBQ-RHQXLFEISA-N- Molecular formula
- C24H36O8
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- Phorbol ethyl acetate
- IUPAC
- ethyl acetate;(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one
Names & synonyms
phorbol ethyl acetateQNMMOZRMJJBDBQ-RHQXLFEISA-N
Database identifiers
- PubChem CID
- 70519647
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 803
Related reactions
1 records
Compound notes
Loading…