Phorbol 13-acetate

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1264
CAS
32752-29-7
Product Name
Phorbol 13-acetate
Structure

Product Details

Description
Phorbol 13-acetate is extracted from the roots of Euphorbia pekinensis Rupr. It is used as a reference compound for studying 12-deacylation of phorbol 12-myristate 13-acetate.
Synonyms
13-Acetylphorbol; Phorbol 13-monoacetate; 1,6,8-alpha-tetramethyl-l-19a-acetate; (1aR)-1,1,6,8α-Tetramethyl-3-(hydroxymethyl)-4aβ,7bα,9β-trihydroxy-9aα-acetoxy-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-5H-cyclopropa[3,4]benzo[1,2-e]azulene-5-one; (1aR)-9aα-Acetyloxy-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β-trihydroxy-3-hydroxymethyl-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one; 5H-Cyclopropa(3,4)benz(1,2-E)azulen-5-one, 1,1A-alpha,1B-beta,4,4A,7A-alpha,7B,8,9,9A-decahydro-4A-alpha,7B-alpha,9-beta,9A-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9A-acetate
IUPAC Name
[(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate
Molecular Weight
406.47
Molecular Formula
C22H30O7
Canonical SMILES
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C)O
InChI
InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1
InChIKey
SDSVJYOOAPRSDA-RPCQODIISA-N
Purity
95.0%
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