Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy
Basic information
- CAS
53202-98-5- Standard SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@H]2C1(OC(C)=O)[C@]2(C)CO- InChIKey
DYHBGVHTKOPQDM-KVQKLZOMSA-N- Molecular formula
- C38H60O9
- Average molar mass
- 660.9 g/mol
- Monoisotopic mass
- 660.42373349
Overview
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Names & identifiers
- Preferred name
- Phorbol-13-acetate, 12-O-palmitoyl-16-hydroxy
- IUPAC
- [(1S,2S,6R,10S,11R,12S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8,12-bis(hydroxymethyl)-4,12,15-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate
Names & synonyms
PHORBOL-13-ACETATE, 12-O-PALMITOYL-16-HYDROXYNSC 338250Hexadecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropal(3,4)benz(1,2-e)azulen-9-yl ester
Database identifiers
- CAS
53202-98-5- PubChem CID
- 124127
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
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Compound notes
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