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Substance Name: Ingenol 3-palmitate
RN: 52557-26-3
InChIKey: DOSPRDHNGNPKKJ-BYPUAWAASA-N

Note

  • Irritant & tumor-promoting constituent of Euphorbia serrata.

Molecular Formula

  • C36-H58-O6

Molecular Weight

  • 586.8482
 
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Names and Synonyms

Name of Substance

  • Ingenol 3-palmitate

Synonyms

  • 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))-
  • Ingenol 3-hexadecanoate

Systematic Name

  • 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))-

Registry Numbers

CAS Registry Number

  • 52557-26-3

System Generated Number

  • 0052557263

Structure Descriptors

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

Smiles

C(=O)(CCCCCCCCCCCCCCC)O[C@@H]1[C@@]2([C@@]3(C=C1C)[C@@H](C[C@@H]1[C@H]([C@H](C=C([C@H]2O)CO)C3=O)[C@]1(C)C)C)O