12-Deoxy-phorbol-13-octenoate-20-acetate
Basic information
- CAS
56602-09-6- Standard SMILES
CCCCC/C=C/C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C- InChIKey
WPWVCFNLRJEQID-ZJXQVNSBSA-N- Molecular formula
- C30H42O7
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.29305367
Names & identifiers
- Preferred name
- 12-Deoxy-phorbol-13-octenoate-20-acetate
- IUPAC
- [(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-oct-2-enoate
Names & synonyms
12-Deoxy-phorbol-13-octenoate-20-acetate12-Deoxyphorbol-13-octenoate-20-acetate12-Deoxy-phorbol, 20-acetate-13-octenoate56602-09-65H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(acetoxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-octenoate
Database identifiers
- CAS
56602-09-6- PubChem CID
- 6446293
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,070
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Compound notes
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