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

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Revision as of 16:49, 16 February 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 466616366 of page 15-Crown-5 for the Chem/Drugbox validation project (updated: 'ChEBI').← Previous edit		Revision as of 16:49, 16 February 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 458692391 of page 16-Hydroxydehydroepiandrosterone 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		\| Verifiedfields = changed
	\| verifiedrevid = ~~457644056~~		\| verifiedrevid = 457644200
	\| ImageFile = 15-~~crown-5 skeletal~~.~~svg~~		\|ImageFile=16-hydroxydehydroepiandrosterone.png
	\| ImageSize = ~~150~~		\|ImageSize=200px
			\|ImageFile2=16-Hidroxidehidroepiandrosterona3D.png
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
			\|ImageSize2=200px
	\| ImageAlt = Skeletal formula
			\|IUPACName=(3''S'',8''R'',9''S'',10''R'',13''S'',14''S'',16''R'')-3,16-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopentaphenanthren-17-one
	\| ImageFile1 = 15-Crown-5-3D-balls.png
			\|OtherNames=3β,16α-Dihydroxyandrost-5-en-17-one
	\| ImageSize1 = 170
		⚫	\|Section1={{Chembox Identifiers
	\| ImageAlt1 = Ball-and-stick model
			\| InChI = 1/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
	\| SystematicName = 1,4,7,10,13-Pentaoxacyclopentadecane<ref>{{Cite web\|title = 15-crown-5 - Compound Summary\|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=36336&loc=ec_rcs\|work = PubChem Compound\|publisher = National Center for Biotechnology Information\|accessdate = 11 October 2011\|location = USA\|date = 16 September 2004\|at = Identification and Related Records}}</ref>
			\| InChIKey = QQIVKFZWLZJXJT-DNKQKWOHBQ
⚫	\| Section1 = {{Chembox Identifiers
		⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| CASNo = 33100-27-5
			\| StdInChI = 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
⚫	\| CASNo_Ref = {{cascite\|~~correct~~\|~~CAS~~}}
		⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| PubChem = ~~36336~~
		⚫	\| StdInChIKey = QQIVKFZWLZJXJT-DNKQKWOHSA-N
	\| PubChem_Ref = {{Pubchemcite\|correct\|PubChem}}
		⚫	\| CASNo_Ref = {{cascite\|changed\|??}}
⚫	\| ChemSpiderID = ~~33416~~
			\| CASNo = <!-- blanked - oldvalue: 1232-73-1 -->
		⚫	\| PubChem=102030
	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}		\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
		⚫	\| ChEBI_Ref = {{ebicite\|correct\|EBI}}
	\| EINECS = 251-379-6
	\| ~~MeSHName~~ = ~~15-Crown-5~~		\| ChEBI = 27771
		⚫	\| ChemSpiderID=92168
	\| ChEBI = 32401
			\| SMILES = O=C32(CC14(C(=C/C12C3O)\C(O)CC4)C)C
⚫	\| ChEBI_Ref = {{ebicite\|~~changed~~\|EBI}}
	\| ChEMBL = 156289
	\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| RTECS = SB0200000
	\| Beilstein = 1618144
	\| Gmelin = 3897
	\| SMILES = C1COCCOCCOCCOCCO1
	\| StdInChI = 1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
⚫	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChI = 1/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
⚫	\| StdInChIKey = ~~VFTFKUDGYRBSAL~~-~~UHFFFAOYSA~~-N
⚫	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| InChIKey = VFTFKUDGYRBSAL-UHFFFAOYAH
⚫	}}
⚫	\| Section2 = {{Chembox Properties
	\| C = 10
	\| H = 20
	\| O = 5
	\| ExactMass = 220.131073750 g mol<sup>-1</sup>
⚫	\| Appearance = ~~Transparent liquid~~
	\| Density = 1.113 g cm<sup>-3</sup> (at 20 °C)
	\| BoilingPtC = 116
	\| Boiling_notes = at 240 Pa
	\| LogP = -0.639
	\| RefractIndex = 1.465
⚫	}}
⚫	\| Section3 = {{Chembox ~~Thermochemistry~~
	\| DeltaHf = -881.1--877.1 kJ mol<sup>-1</sup>
	\| DeltaHc = -5.9157--5.9129 MJ mol<sup>-1</sup>
	}}
	\| Section4 = {{Chembox Hazards
	\| ExternalMSDS =
	\| GHSPictograms = {{GHS exclamation mark}}
	\| GHSSignalWord = '''WARNING'''
	\| HPhrases = {{H-phrases\|302\|315\|319}}
	\| PPhrases = {{P-phrases\|305+351+338}}
	\| EUClass = {{Hazchem Xn}}
	\| RPhrases = {{R22}}, {{R36/38}}
	\| SPhrases = {{S26}}
	\| NFPA-F = 1
	\| NFPA-H = 2
	\| NFPA-R = 0
⚫	\| FlashPt = ~~113 °C~~
	}}		}}
		⚫	\|Section2={{Chembox Properties
			\| Formula=C<sub>19</sub>H<sub>28</sub>O<sub>3</sub>
			\| MolarMass=304.42 g/mol
		⚫	\| Appearance=
			\| Density=
			\| MeltingPt=
			\| BoilingPt=
			\| Solubility=
		⚫	}}
		⚫	\|Section3={{Chembox Hazards
			\| MainHazards=
		⚫	\| FlashPt=
			\| Autoignition=
		⚫	}}
	}}		}}

Revision as of 16:49, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 458692391 of page 16-Hydroxydehydroepiandrosterone with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names


IUPAC name (3S,8R,9S,10R,13S,14S,16R)-3,16-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopentaphenanthren-17-one
Other names 3β,16α-Dihydroxyandrost-5-en-17-one
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:27771
ChemSpider	92168
PubChem CID	102030
InChI InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1Key: QQIVKFZWLZJXJT-DNKQKWOHSA-N InChI=1/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1Key: QQIVKFZWLZJXJT-DNKQKWOHBQ
SMILES O=C32(CC14(C(=C/C12C3O)\C(O)CC4)C)C
Properties
Chemical formula	C₁₉H₂₈O₃
Molar mass	304.42 g/mol
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