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Revision as of 14:13, 24 November 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444029078 of page Nonadecylic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 14:14, 24 November 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 449569419 of page Norbergenin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').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
| verifiedrevid = 444027847 | verifiedrevid = 444355023
| Name = Nonadecylic acid | Name = Norbergenin
| ImageFile = Nonadecylic acid.png | ImageFile = Norbergenin.svg
| ImageSize = 250px | ImageSize = 200px
| ImageName = Chemical structure of norbergenin
| ImageAlt =
| ImageAlt = Chemical structure of norbergenin
| ImageName =
| IUPACName = (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyranoisochromen-6-one
| IUPACName = Nonadecanoic acid
⚫ | OtherNames = <!-- <br> -->
| SystematicName =
⚫ |Section1= {{Chembox Identifiers
⚫ | OtherNames =
| CASNo = <!-- blanked - oldvalue: 79595-97-4 -->
⚫ | Section1 = {{Chembox Identifiers
| Abbreviations = | CASNo_Comment =
| CASNo = 646-30-0 | CASNo_Ref =
| CASNo1 = 838-40-4
| CASNo_Ref =
| CASNos = | CASNo1_Comment =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 12071 | ChemSpiderID = 65953
⚫ | ChEMBL = 463164
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = | PubChem = 73192
| SMILES = O=C3O1(O(CO)(O)1O)c2c(O)c(O)c(O)cc23
| EC-number = 211-472-4
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = ISYWECDDZWTKFF-UHFFFAOYSA-N
⚫ | ChEMBL = 1169674
| PubChem = 12591
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 39246
| SMILES = O=C(O)CCCCCCCCCCCCCCCCCC
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21) | StdInChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ }}
⚫ | StdInChIKey = GDYGAIKPBLFCKR-YWQRSDGBSA-N
⚫ | Section2 = {{Chembox Properties
| MeSHName =
| Appearance = White flakes or powder
⚫ }}
| BoilingPt = 236°C (10 mmHg) </br> 297°C (100 mmHg)
⚫ |Section2= {{Chembox Properties
| Density =
| Formula = CH<sub>3</sub>(CH<sub>2</sub>)<sub>18</sub>COOH | Formula = C<sub>13</sub>H<sub>16</sub>O<sub>9</sub>
| MolarMass = 298.50382 g/mol | MolarMass = 314.24 g/mol
| ExactMass = 314.063782 u
⚫ | MeltingPt = 68-70°C
| Appearance =
| Solubility = Insoluble
| SolubleOther = | Density =
⚫ | MeltingPt = <!-- °C -->
| Solvent = }}
| BoilingPt = <!-- °C -->
| Section7 = {{Chembox Hazards
| ExternalMSDS = | Solubility =
| FlashPt =
| LD50 =
| MainHazards = Irritant ('''Xi''')
| NFPA-H =
| NFPA-F =
| NFPA-R =
| NFPA-O =
| RPhrases = {{R36/37/38}}
| SPhrases = {{S26}}
}} }}
| Section8 = {{Chembox Related
| Function =
| OtherAnions =
| OtherCations =
| OtherCpds =
| OtherFunctn = }}
}} }}

Revision as of 14:14, 24 November 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 449569419 of page Norbergenin with values updated to verified values.
Norbergenin
Chemical structure of norbergenin
Names
IUPAC name (2S,3R,4R,4aS,10bR)-3,4,8,9,10-pentahydroxy-2-(hydroxymethyl)-3,4,4a,10b-tetrahydro-2H-pyranoisochromen-6-one
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1Key: GDYGAIKPBLFCKR-YWQRSDGBSA-N
SMILES
  • O=C3O1(O(CO)(O)1O)c2c(O)c(O)c(O)cc23
Properties
Chemical formula C13H16O9
Molar mass 314.24 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound