Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 12-Deoxyphorbolphenylacetate
RN: 58821-98-0
InChIKey: JAMGGIDPOXFRAM-RFYIAXDNSA-N

Classification Codes

  • Irritants
  • Mutation Data
  • Noxae
  • Riot Control Agents, Chemical
  • Skin / Eye Irritant

Molecular Formula

  • C28-H34-O6

Molecular Weight

  • 466.5706
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 12-Deoxyphorbolphenylacetate

Synonyms

  • 12-Deoxyphorbol-13-phenylacetate
  • BRN 1898359
  • CCRIS 6293

Systematic Names

  • 12-Deoxyphorbol 13-phenylacetate
  • 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-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9a-phenylacetate
  • Benzeneacetic acid, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester

Registry Numbers

CAS Registry Number

  • 58821-98-0

System Generated Number

  • 0058821980

Structure Descriptors

InChI

1S/C28H34O6/c1-16-10-21-26(32,24(16)31)14-19(15-29)11-20-23-25(3,4)27(23,13-17(2)28(20,21)33)34-22(30)12-18-8-6-5-7-9-18/h5-11,17,20-21,23,29,32-33H,12-15H2,1-4H3/t17-,20+,21-,23?,26-,27+,28-/m1/s1

InChIKey

JAMGGIDPOXFRAM-RFYIAXDNSA-N

Smiles

C[C@@H]1C[C@]2(OC(=O)Cc3ccccc3)C([C@@H]4C=C(CO)C[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]14O)C2(C)C