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-palmitate;52557-26-3;CHEMBL2430127;Ingenol 3-hexadecanoate;[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 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))-;BDBM50493440;DA-64451;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,2beta,5beta,5abeta,6beta,8aalpha,9alpha,10aalpha))-;Palmitic acid (1aR)-1aalpha,2beta,5,5a,6,9,10,10aalpha-octahydro-5beta,5abeta-dihydroxy-4-hydroxymethyl-1,1,7,9alpha-tetramethyl-11-oxo-1H-2alpha,8aalpha-methanocyclopenta[a]cyclopropa[e]cyclodecen-6beta-yl ester;
IUPAC Name
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate
Molecular Weight
426.5
Molecular Formula
C28H26O4
Canonical SMILES
CC1=CC(=CC=C1)/C=C/C(=O)C2=CC=C(C=C2)OCCCOC3=CC4=C(C=C3)C(=O)CC4
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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