Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 13:39, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 421120630 of page Santonic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit		Revision as of 13:39, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 462801267 of page Santonin 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\|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 = ~~401049719~~		\| verifiedrevid = 418109113
	\|~~ImageFileL1~~=~~Santonic-acid~~-2D-skeletal.png		\|ImageFile=Santonin-2D-skeletal.png
	\|ImageSizeL1=150px
			\|ImageSize=
	\|~~ImageFileR1~~ = ~~Santonic~~-~~acid~~-from-xtal-3D-balls.png		\|ImageFile1 = Alpha-santonin-from-xtal-3D-balls.png
	\|ImageSizeR1=150px
	\|IUPACName= (~~−)-2,~~3,3a,4,5,6,~~7,7a~~-~~octahydro~~-α,3a,5~~-trimethyl-6~~,~~8-dioxo~~-1,4-~~methano~~-1''H''-~~indene-1-acetic acid~~		\|IUPACName=(3''S'',3a''S'',5a''S'',9b''S'')-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphthofuran-2,8(3''H'',4''H'')-dione
	\|OtherNames=		\|OtherNames=
	\|Section1={{Chembox Identifiers		\|Section1={{Chembox Identifiers
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ChemSpiderID = ~~249878~~		\| ChemSpiderID = 9119946
			\| ChEMBL_Ref = {{ebicite\|changed\|EBI}}
⚫	\| InChI = 1/~~C15H20O4~~/c1-~~7-9(16)6~~-10-14(3)4-5-15(~~10,8~~(2~~)13(18)19~~)12(17)11(7)14/h7-8,10~~-11H~~,4-6H2,1-3H3,(H,18,~~19)~~
			\| ChEMBL = <!-- blanked - oldvalue: 259254 -->
	\| InChIKey = UNPYYTKZOHYHMZ-UHFFFAOYAW
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
			\| UNII = 1VL8J38ERO
		⚫	\| InChI = 1/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10?,13-,15-/m0/s1
			\| InChIKey = XJHDMGJURBVLLE-RNZCDDJGBC
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C15H20O4~~/c1-~~7-9(16)6~~-10-14(3)4-5-15(~~10,8~~(2~~)13(18)19~~)12(17)11(7)14/h7-8,10~~-11H~~,4-6H2,1-3H3,(H,18,~~19)~~		\| StdInChI = 1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10?,13-,15-/m0/s1
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~UNPYYTKZOHYHMZ~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = XJHDMGJURBVLLE-RNZCDDJGSA-N
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo=		\| CASNo=481-06-1
	\| PubChem = ~~283654~~		\| PubChem = 10944720
	\| SMILES = O=C(O)C(C31C(=O)C2C(C(=O)CC1C2(CC3)C)C)C
			\| SMILES = CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
	}}		}}
	\|Section2={{Chembox Properties		\|Section2={{Chembox Properties
			\|C=15\|H=18\|O=3
	\| Formula= C<sub>15</sub>H<sub>20</sub>O<sub>4</sub>
	\| MolarMass= ~~264~~.~~32 g mol<sup>−1</sup>~~		\| MolarMass=246.30162
	\| Appearance=		\| Appearance=
			\| Density=
	\| Density= 1.184 g cm<sup>−3</sup><ref name="Brunskill">{{ cite journal \| journal = Acta Cryst. \| volume = C55 \| issue = 4 \| month = April \| year = 1999 \| pages = 566–568 \| doi = 10.1107/S0108270198014231 \| title = Santonic acid: catemeric hydrogen bonding in a γ,ε-diketo carboxylic acid \| author = A. P. J. Brunskill, H. W. Thompson and R. A. Lalancette }}</ref>
	\| MeltingPt=~~173 °C<ref name="Brunskill" />~~		\| MeltingPt=
	\| BoilingPt=		\| BoilingPt=
	\| Solubility=		\| Solubility=

Revision as of 13:39, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 462801267 of page Santonin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphthofuran-2,8(3H,4H)-dione
Identifiers
CAS Number	481-06-1
3D model (JSmol)	Interactive image
ChemSpider	9119946
PubChem CID	10944720
UNII	1VL8J38ERO
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10?,13-,15-/m0/s1Key: XJHDMGJURBVLLE-RNZCDDJGSA-N InChI=1/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10?,13-,15-/m0/s1Key: XJHDMGJURBVLLE-RNZCDDJGBC
SMILES CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C
Properties
Chemical formula	C₁₅H₁₈O₃
Molar mass	246.30162
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). N verify (what is ?) Infobox references

Chemical compound