Ingenol 3-palmitate

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1684
CAS
52557-26-3
Product Name
Ingenol 3-palmitate
Structure

Product Details

Description
Ingenol 3-palmitate is extracted from the latex of Euphorbia serrata. It displays cocarcinogenic and irritant activity on mouse ear and mice back skin.
Synonyms
Ingenol 3-hexadecanoate; Hexadecanoic acid, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1aalpha,2alpha,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-; Palmitic acid (1aR)-1aα,2β,5,5a,6,9,10,10aα-octahydro-5β,5aβ-dihydroxy-4-hydroxymethyl-1,1,7,9α-tetramethyl-11-oxo-1H-2α,8aα-methanocyclopenta[a]cyclopropa[e]cyclodecen-6β-yl ester
Molecular Weight
586.84
Molecular Formula
C36H58O6
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C
InChI
InChI=1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(38)42-33-24(2)22-35-25(3)20-28-30(34(28,4)5)27(32(35)40)21-26(23-37)31(39)36(33,35)41/h21-22,25,27-28,30-31,33,37,39,41H,6-20,23H2,1-5H3/t25-,27+,28-,30+,31-,33+,35+,36+/m1/s1
InChIKey
DOSPRDHNGNPKKJ-BYPUAWAASA-N
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