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Revision as of 16:47, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443261170 of page 12-Crown-4 for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 16:48, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits 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').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| Verifiedfields = changed
| verifiedrevid = 443259844 | verifiedrevid = 444906850
| ImageFile = 12-crown-4 skeletal.svg
| Name = 12-''O''-Tetradecanoylphorbol-13-acetate
⚫ | ImageSize =
| ImageFile = 12-O-Tetradecanoylphorbol-13-acetate.svg
| IUPACName = 1,4,7,10-tetraoxacyclododecane
⚫ | ImageSize = 300px
| OtherNames = 12-crown-4, Lithium Ionophore V
| ImageName = TPA
| IUPACName =(1a''R'',1b''S'',4a''R'',7a''S'',7b''S'',8''R'',9''R'',9a''S'')-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
| OtherNames = TPA, PMA, Phorbol myristate acetate,<br />Tetradecanoylphorbol acetate.
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 17215855
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| 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/s1
| ChEBI = 32399
| InChIKey = PHEDXBVPIONUQT-AOWVHHMZBF
⚫ | ChemSpiderID = 8912
| InChI = 1/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
| InChIKey = XQQZRZQVBFHBHL-UHFFFAOYAA
| SMILES1 = C1COCCOCCOCCO1
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 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/s1
| StdInChI = 1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = XQQZRZQVBFHBHL-UHFFFAOYSA-N | StdInChIKey = PHEDXBVPIONUQT-AOWVHHMZSA-N
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 294-93-9 | CASNo = 16561-29-8
| 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
| PubChem = | PubChem = 10475874
| SMILES = O1CCOCCOCCOCC1
⚫ | ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = <!-- blanked - oldvalue: 279115 -->
| KEGG_Ref = {{keggcite|changed|kegg}}
| KEGG = <!-- blanked - oldvalue: C05151 -->
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
|C=36|H=56|O=8
| Formula = C<sub>8</sub>H<sub>16</sub>O<sub>4</sub>
| MolarMass = 176.21 | MolarMass = 616.83 g/mol
| Appearance =
| Density = 1.089 g/mL at 25 deg C
| MeltingPt = 16 deg C
| BoilingPt = 61-70 deg C/0.5 mm Hg
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt = 113 deg C
| Autoignition =
}} }}
}} }}

Revision as of 16:48, 16 February 2012

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