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Substance Name: Phorbol 12,13,20-triacetate
RN: 19891-05-5
InChIKey: LASMKIAVFGUYEG-SNMHUSDHSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C26-H34-O9

Molecular Weight

  • 490.5456
 
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Names and Synonyms

Name of Substance

  • Phorbol 12,13,20-triacetate

Synonyms

  • BRN 5191305
  • Phorbol 12,13,20-triacetate
  • Phorbol triacetate

Systematic Names

  • 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-3-(hydroxymethyl)-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-, 3,9,9a-triacetate, (+)-
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(acetyloxy)-3-((acetyloxy)methyl)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R)-

Registry Numbers

CAS Registry Number

  • 19891-05-5

System Generated Number

  • 0019891055

Structure Descriptors

InChI

1S/C26H34O9/c1-12-8-19-24(31,21(12)30)10-17(11-33-14(3)27)9-18-20-23(6,7)26(20,35-16(5)29)22(34-15(4)28)13(2)25(18,19)32/h8-9,13,18-20,22,31-32H,10-11H2,1-7H3/t13-,18+,19-,20-,22-,24-,25-,26?/m1/s1

InChIKey

LASMKIAVFGUYEG-SNMHUSDHSA-N

Smiles

C[C@@H]1[C@@H](OC(=O)C)C2(OC(=O)C)[C@H]([C@@H]3C=C(COC(=O)C)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C