12-O-Hexanoylphorbol 13-acetate
Basic information
- CAS
83920-66-5- Standard SMILES
CCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O- InChIKey
LYKNKUAIZBDNQQ-UHFFFAOYSA-N- Molecular formula
- C28H40O8
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.27231823
Names & identifiers
- Preferred name
- 12-O-Hexanoylphorbol 13-acetate
- IUPAC
- [13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate
Names & synonyms
83920-66-512-O-Hexanoylphorbol 13-acetateDTXSID8010040779a-(acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl hexanoate
Database identifiers
- CAS
83920-66-5- PubChem CID
- 190062
- DTXSID
DTXSID801004077
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,030
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Compound notes
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