Phorbol acetate, laurate
Completing data — refresh the page later to see the latest
Basic information
- CAS
16675-05-1- Standard SMILES
CCCCCCCCCCCC(=O)O[C@@]12C(OC(C)=O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C- InChIKey
PSBLORXWXFKGFT-XBQQKYDNSA-N- Molecular formula
- C34H52O8
- Average molar mass
- 588.8 g/mol
- Monoisotopic mass
- 588.36621861
Names & identifiers
- Preferred name
- Phorbol acetate, laurate
- IUPAC
- [(1S,2S,6R,10S,11R,13S,15R)-14-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate
- English name
- (1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-3-hydroxymethyl-5-oxo-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulene-4aβ,7bα,9α,9aβ-tetrol 9-acetate 9a-laurate
- Molecular weight
- 0
Names & synonyms
Phorbol acetate, lauratePhorbol monoacetate monolaurateBRN 2610948Phorbol acetate laurateDTXSID9093723516675-05-120839-16-1Lauric acid, 9a-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one 9-acetate(1aR,1bS,4aR,7aS,7bS,8R,9aS)-9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl dodecanoate9-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl dodecanoate(1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-3-hydroxymethyl-5-oxo-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulene-4aβ,7bα,9α,9aβ-tetrol 9-acetate 9a-laurate
Database identifiers
- CAS
16675-05-1、20839-16-1- PubChem CID
- 197997
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 564.02 °C · 564.02°C (rough estimate)
- Density
- 1.0669 · 1.0669 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…