| Revision as of 10:46, 9 April 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 465152556 of page Betaenone_C for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey').← Previous edit |
Revision as of 10:46, 9 April 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 411565925 of page Betamethasone_17-valerate for the Chem/Drugbox validation project (updated: 'ChEBI', 'StdInChI', 'StdInChIKey', '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.}} |
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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.}} |
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{{Chembox |
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{{chembox |
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| ImageFile = Betaenone C skeletal.svg |
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|ImageFile=Betamethasone 17-Valerate.png |
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|ImageSize=200px |
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| ImageName = |
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| IUPACName = (2''S'',3''R'',4''R'',4a''S'',5''R'',7''R'',8a''S'')-3--2,7-dihydroxy-4--2,4,5,7-tetramethyloctahydronaphthalen-1(2''H'')-one |
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|IUPACName=phenanthren-17-yl] pentanoate |
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|OtherNames= |
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| Section1 = {{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| Abbreviations = |
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| CASNo = |
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| ChemSpiderID = 15673 |
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| InChI = 1/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1 |
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| CASNo_Ref = |
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| InChIKey = SNHRLVCMMWUAJD-SUYDQAKGBY |
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| UNII = |
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| CASNo = <!-- blanked - oldvalue: 2152-44-5 --> |
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| StdInChI = 1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1 |
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| ChEMBL_Ref = {{ebicite|correct|EBI}} |
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| StdInChIKey = YRYPVWAJOMXOHH-ITBWMFDCSA-N |
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| PubChem = |
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| ChEMBL = 1497 |
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| PubChem_Ref = |
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| ChEBI = 31277 |
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| StdInChI = 1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1 |
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| ChemSpiderID = 10349243 |
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| StdInChIKey = SNHRLVCMMWUAJD-SUYDQAKGSA-N |
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| ChemSpiderID_Ref = |
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| PubChem=16533 |
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| EINECS = |
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| SMILES = O=C(O3(C(=O)CO)2(C(O)4(F)/1(\C(=C/C(=O)\C=C\1)CC42C3C)C)C)CCCC |
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| KEGG = |
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| KEGG_Ref = |
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| SMILES = CC2CC(C)(O)CC(C(=O)C1(C)O)C2C(C)(C(=O)\C=C/O)C1C(C)CC |
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| InChI = 1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1 |
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| InChIKey = YRYPVWAJOMXOHH-ITBWMFDCSA-N |
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}} |
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| Section2 = {{Chembox Properties |
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| C=21 | H=34 | O=5 |
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}} |
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|Section2={{Chembox Properties |
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| Formula=C<sub>27</sub>H<sub>37</sub>FO<sub>6</sub> |
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| MolarMass=476.58 g/mol |
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| Appearance= |
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| Density= |
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}} |
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|Section3={{Chembox Hazards |
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| MainHazards= |
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| FlashPt= |
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| Autoignition= |
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}} |
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}} |
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}} |
