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Substance Name: 4-O-Methylphorbol-12,13-diacetate
RN: 22376-31-4
InChIKey: JCFQHNGACWXQLL-SUKCUDRDSA-N

Molecular Formula

  • C25-H34-O8

Molecular Weight

  • 462.5356
 
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Names and Synonyms

Results Name

  • 4-O-Methylphorbol-12,13-diacetate

Synonyms

  • 4-O-Methylphorbol-12,13-diacetate
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-, 9,9a-diacetate, (+)-

Systematic Names

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-, 9,9a-diacetate, (+)-
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-7balpha,9beta,9aalpha trihydroxy-3-(hydroxymethyl)-4abeta-methoxy-1,1,6,8alpha-tetramethyl-, 9,9a-diacetate, (+)-

Registry Numbers

CAS Registry Number

  • 22376-31-4

System Generated Number

  • 0022376314

Structure Descriptors

InChI

1S/C25H34O8/c1-12-8-18-23(31-7,20(12)29)10-16(11-26)9-17-19-22(5,6)25(19,33-15(4)28)21(32-14(3)27)13(2)24(17,18)30/h8-9,13,17-19,21,26,30H,10-11H2,1-7H3/t13-,17+,18-,19-,21-,23-,24-,25-/m1/s1

InChIKey

JCFQHNGACWXQLL-SUKCUDRDSA-N

Smiles

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