Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 12-Deoxyphorbolphenylacetate-20-acetate
RN: 54662-30-5
InChIKey: MEDVHSNRBPAIPU-XMOZQXTISA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C30-H36-O7

Molecular Weight

  • 508.6074
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 12-Deoxyphorbolphenylacetate-20-acetate

Synonym

  • 12-Deoxyphorbol-13-phenylacetate-20-acetate

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

Registry Numbers

CAS Registry Number

  • 54662-30-5

System Generated Number

  • 0054662305

Structure Descriptors

InChI

1S/C30H36O7/c1-17-11-23-28(34,26(17)33)15-21(16-36-19(3)31)12-22-25-27(4,5)29(25,14-18(2)30(22,23)35)37-24(32)13-20-9-7-6-8-10-20/h6-12,18,22-23,25,34-35H,13-16H2,1-5H3/t18-,22+,23-,25-,28-,29+,30-/m1/s1

InChIKey

MEDVHSNRBPAIPU-XMOZQXTISA-N

Smiles

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