Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 14:32, 24 November 2011 (Saving copy of the {{chembox}} taken from revid 454379357 of page Okadaic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 14:32, 24 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 454379357 of page Okadaic_acid for the Chem/Drugbox validation project (updated: 'ChEMBL', 'ChEBI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{chembox}}) taken from revid 454379357 of page Okadaic_acid with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name (2R)-3-undecan-2-yl]butyl]-3-methylene-spiropyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-prop-2-enyl]-11-hydroxy-4-methyl-1,7-dioxaspiroundec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid
Other names 9,10-Deepithio-9,10-didehydroacanthifolicin
Identifiers
CAS Number	78111-17-8
3D model (JSmol)	Interactive image
ChEBI	CHEBI:44658
ChemSpider	393845
MeSH	Acid Okadaic Acid
PubChem CID	446512
InChI InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1Key: QNDVLZJODHBUFM-WFXQOWMNSA-N InChI=1/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1Key: QNDVLZJODHBUFM-WFXQOWMNBB InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1Key: QNDVLZJODHBUFM-WFXQOWMNSA-N
SMILES O=C(O)(O)(C)C7O/1(O(CC(=C\1)\C)(/C=C/6O3(O2(O)/C(=C)(O2CC3)(O)C(C)5O4(OCCCC4)CC5C)CC6)C)(O)CC7
Properties
Chemical formula	C₄₄H₆₈O₁₃
Molar mass	805.015 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references

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Chemical compound