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Substance Name: 12-O-acetylphorbol-13-decanoate
RN: 20839-15-0
InChIKey: CSJWNHJJHIAAIG-SVOQZPEWSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C32-H48-O8

Molecular Weight

  • 560.7232
 
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Names and Synonyms

Name of Substance

  • 12-O-acetylphorbol-13-decanoate

Synonyms

  • 12-O-Acetyl-phorbol-13-decanoate
  • BRN 2610782
  • Phorbol acetate, caprate

Systematic Name

  • Decanoic 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

Registry Numbers

CAS Registry Number

  • 20839-15-0

Other Registry Number

  • 16561-28-7

System Generated Number

  • 0020839150

Structure Descriptors

InChI

1S/C32H48O8/c1-7-8-9-10-11-12-13-14-25(35)40-32-26(29(32,5)6)23-16-22(18-33)17-30(37)24(15-19(2)27(30)36)31(23,38)20(3)28(32)39-21(4)34/h15-16,20,23-24,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,23+,24-,26-,28-,30-,31-,32-/m1/s1

InChIKey

CSJWNHJJHIAAIG-SVOQZPEWSA-N

Smiles

CCCCCCCCCC(=O)O[C@@]12[C@H](OC(=O)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C