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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:02, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 458777410 of page Solamargine for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

This page contains a copy of the infobox ({{chembox}}) taken from revid 458777410 of page Solamargine with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

Names
IUPAC name (3β,22α,25R)-Spirosol-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1→2)--β-D-glucopyranoside
Other names Solamargin; δ-Solanigrine
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL443114
ChemSpider	66278
PubChem CID	73611
InChI InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1Key: MBWUSSKCCUMJHO-ZGXDEBHDSA-N InChI=1/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1Key: MBWUSSKCCUMJHO-ZGXDEBHDBL
SMILES O(8(O5C/C4=C/C36C2O1(NC(C)CC1)(C)26(C)CC34(C)CC5)O(CO)(O7O(C)(O)(O)7O)8O)9O((O)(O)9O)C
Properties
Chemical formula	C45H73NO15
Molar mass	868.071 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

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