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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:48, 16 February 2012 (Saving copy of the {{chembox}} taken from revid 472989359 of page 12-O-Tetradecanoylphorbol-13-acetate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:48, 16 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 472989359 of page 12-O-Tetradecanoylphorbol-13-acetate for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 472989359 of page 12-O-Tetradecanoylphorbol-13-acetate with values updated to verified values.
12-O-Tetradecanoylphorbol-13-acetate
TPA
Names
IUPAC name (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-H-cyclopropabenzoazulen-9-yl myristate
Other names TPA, PMA, Phorbol myristate acetate,
Tetradecanoylphorbol acetate.
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24?,27-,28?,30+,32+,34+,35+,36+/m0/s1Key: PHEDXBVPIONUQT-AOWVHHMZSA-N
  • InChI=1/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24?,27-,28?,30+,32+,34+,35+,36+/m0/s1Key: PHEDXBVPIONUQT-AOWVHHMZBF
SMILES
  • CCCCCCCCCCCCCC(=O)O2C(C)1(O)C4/C=C(/C)C(=O)4(O)CC(\CO)=C/132(OC(C)=O)C3(C)C
Properties
Chemical formula C36H56O8
Molar mass 616.83 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound