123387-72-4 Purity
95%
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Specification
The molecular formula of Limonin17-beta-D-glucopyranoside is C32H42O14.
The synonyms for Limonin17-beta-D-glucopyranoside are 123564-61-4 and DTXSID80924538.
The molecular weight of Limonin17-beta-D-glucopyranoside is 650.7 g/mol.
The IUPAC name of Limonin17-beta-D-glucopyranoside is 5-[furan-3-yl-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,7,11,11-tetramethyl-8,15-dioxospiro[12,16-dioxatetracyclo[8.7.0.0 1,13 .0 2,7 ]heptadecane-6,3'-oxirane]-2'-carboxylic acid.
The InChI code of Limonin17-beta-D-glucopyranoside is InChI=1S/C32H42O14/c1-28(2)17-9-18(34)30(4)16(31(17)13-42-20(35)10-19(31)45-28)5-7-29(3,32(30)25(46-32)26(39)40)24(14-6-8-41-12-14)44-27-23(38)22(37)21(36)15(11-33)43-27/h6,8,12,15-17,19,21-25,27,33,36-38H,5,7,9-11,13H2,1-4H3,(H,39,40).
The InChIKey of Limonin17-beta-D-glucopyranoside is FYIKIBQJAJRKQM-UHFFFAOYSA-N.
The canonical SMILES of Limonin17-beta-D-glucopyranoside is CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC(C35C(O5)C(=O)O)(C)C(C6=COC=C6)OC7C(C(C(C(O7)CO)O)O)O)C)C.
The CAS number of Limonin17-beta-D-glucopyranoside is 123564-61-4.
Yes, Limonin17-beta-D-glucopyranoside is a canonicalized compound.