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Revision as of 10:45, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 469716802 of page AM-087 for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 10:48, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 462745257 of page AMG-1 for the Chem/Drugbox validation project (updated: 'ChEMBL').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{Drugbox
| Watchedfields = changed
| verifiedrevid = 462653342 | verifiedrevid = 424768477
| IUPAC_name = (6aR,10aR)-3-(2-methyl-6-bromohex-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzochromen-1-ol | IUPAC_name = (6aR,10aR)-3-(hept-1-ynyl)-6,6,9-trimethyl-
| image = AM-087.png | image = AMG-1.png
| width = 240 | width = 240


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<!--Identifiers--> <!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = | CAS_number =
| ChEMBL = 199561 | ChEMBL = 279147
| PubChem = 10717065 | PubChem = 10830874
⚫ | ChemSpiderID = 9006174
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | InChI = 1/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
⚫ | ChemSpiderID = 8892405
| InChIKey = PYCLMAJRHLLHNO-RTBURBONBN
⚫ | InChI = 1/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
⚫ | StdInChI = 1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
| InChIKey = RJPGJHLVEUSRRA-QZTJIDSGBN
⚫ | StdInChIKey = PYCLMAJRHLLHNO-RTBURBONSA-N
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChI = 1S/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = RJPGJHLVEUSRRA-QZTJIDSGSA-N


<!--Chemical data--> <!--Chemical data-->
| C=23 | H=33 | Br=1 | O=2 | C=23 | H=30 | O=2
| molecular_weight = 421.410 g/mol | molecular_weight = 338.482 g/mol
| smiles = CC3(C)C1CC=C(C)CC1c2c(O)cc(C(C)(C)CCCCBr)cc2O3 | smiles = CC=3CC1c2c(O)cc(C#CCCCCC)cc2OC(C)(C)C1CC=3
}} }}

Revision as of 10:48, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 462745257 of page AMG-1 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • (6aR,10aR)-3-(hept-1-ynyl)-6,6,9-trimethyl-
PubChem CID
ChemSpider
ChEMBL
Chemical and physical data
FormulaC23H30O2
Molar mass338.482 g/mol g·mol
3D model (JSmol)
SMILES
  • CC=3CC1c2c(O)cc(C#CCCCCC)cc2OC(C)(C)C1CC=3
InChI
  • InChI=1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3/t18-,19-/m1/s1
  • Key:PYCLMAJRHLLHNO-RTBURBONSA-N
  (verify)
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