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

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Revision as of 16:46, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 472733962 of page 1.1.1-Propellane for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 16:46, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 456498248 of page 10-Deacetylbaccatin for the Chem/Drugbox validation project (updated: '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
			\| Verifiedfields = changed
	\| verifiedrevid = ~~443260529~~		\| verifiedrevid = 456497308
	\| Name=Propellane
			\|ImageFile=Deacetylbaccatin.png
	\| ImageFileL1 = 1.1.1-propellane.svg
			\|ImageSize=200px
	\| ImageSizeL1 = 100px
			\|IUPACName=<small> (''2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS'')- 12b-(Acetyloxy)-12-(benzoyloxy)- 1,2a,3,4,4a,6,9,10,11,12,12a,12b- dodecahydro-4,6,9,11-tetrahydroxy- 4a,8,13,13-tetramethyl-7,11-methano- ''5H''-cyclodeca(3,4)benz(1,2-b) oxet-5-one</small>
	\| ImageFileR1 = 1.1.1-propellane.png
			\|OtherNames=10-Deacetylbaccatin III<br>10-Deacetylbaccatine III
	\| ImageSizeR1 = 150px
		⚫	\|Section1= {{Chembox Identifiers
	\| IUPACName = Tricyclopentane
		⚫	\| CASNo_Ref = {{cascite\|changed\|??}}
	\| OtherNames =
		⚫	\| CASNo = <!-- blanked - oldvalue: 32981-86-5 -->
⚫	\| Section1 = {{Chembox Identifiers
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
⚫	\| CASNo = <!-- blanked - oldvalue: ~~35634~~-10-7 -->
			\| ChEMBL = 393912
⚫	\| CASNo_Ref = {{cascite\|~~correct~~\|??}}
		⚫	\| PubChem=154272
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChemSpiderID = 135935
			\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
			\| ChEBI = 18193
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
			\| StdInChI = 1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
	\| StdInChI = 1S/C5H6/c1-4-2-5(1,4)3-4/h1-3H2
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~ZTXSPLGEGCABFL~~-~~UHFFFAOYSA~~-N		\| StdInChIKey = YWLXLRUDGLRYDR-ZHPRIASZSA-N
			\| SMILES=CC1=C2C(C(=O)C3 (C(CC4C(C3C(C(C2(C)C)(CC1O)O) OC(=O)C5=CC=CC=C5)(CO4) OC(=O)C)O)C)O
⚫	\| ChemSpiderID = ~~125285~~
			}}
⚫	\| PubChem =
		⚫	\|Section2= {{Chembox Properties
	\| SMILES = C1(C2)(C3)C23C1}}
			\| Formula=C<sub>29</sub>H<sub>36</sub>O<sub>10</sub>
⚫	\| Section2 = {{Chembox Properties
			\| MolarMass=544.59
	\| C=5 \| H=6
	\| Appearance =		\| Appearance=
	\| Density =		\| Density=
	\| MeltingPt =		\| MeltingPt=
	\| BoilingPt =		\| BoilingPt=
	\| Solubility = }}		\| Solubility=
			}}
	\| Section3 = {{Chembox Hazards		\|Section3= {{Chembox Hazards
	\| MainHazards =		\| MainHazards=
	\| FlashPt =		\| FlashPt=
	\| Autoignition = }}		\| Autoignition=
			}}
	}}		}}

Revision as of 16:46, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 456498248 of page 10-Deacetylbaccatin with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)- 12b-(Acetyloxy)-12-(benzoyloxy)- 1,2a,3,4,4a,6,9,10,11,12,12a,12b- dodecahydro-4,6,9,11-tetrahydroxy- 4a,8,13,13-tetramethyl-7,11-methano- 5H-cyclodeca(3,4)benz(1,2-b) oxet-5-one
Other names 10-Deacetylbaccatin III 10-Deacetylbaccatine III
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:18193
ChEMBL	ChEMBL393912
ChemSpider	135935
PubChem CID	154272
InChI InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1Key: YWLXLRUDGLRYDR-ZHPRIASZSA-N
SMILES CC1=C2C(C(=O)C3 (C(CC4C(C3C(C(C2(C)C)(CC1O)O) OC(=O)C5=CC=CC=C5)(CO4) OC(=O)C)O)C)O
Properties
Chemical formula	C₂₉H₃₆O₁₀
Molar mass	544.59
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):

SizeSet

Chemical compound