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SCABEROSIDE-B9;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER

Compound with spectra: 1 NMR

SCABEROSIDE-B9;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID 85cb3x5d5EY
InChI InChI=1S/C54H86O22/c1-23-31(56)34(59)39(64)45(71-23)75-42-36(61)33(58)27(22-70-44-38(63)32(57)26(55)21-69-44)72-47(42)76-48(67)54-18-16-49(2,3)20-25(54)24-10-11-29-51(6)14-13-30(73-46-40(65)35(60)37(62)41(74-46)43(66)68-9)50(4,5)28(51)12-15-53(29,8)52(24,7)17-19-54/h10,23,25-42,44-47,55-65H,11-22H2,1-9H3/t23-,25?,26+,27+,28?,29?,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42+,44-,45-,46+,47-,51-,52+,53+,54-/m0/s1
InChIKey OTQJYUMTKDYFDV-MUPKUUMKSA-N
Mol Weight 1087.3 g/mol
Molecular Formula C54H86O22
Exact Mass 1086.561074 g/mol
Enantiomer InChIKey OTQJYUMTKDYFDV-XLEYLYOGSA-N

View Spectrum of SCABEROSIDE-B9;3-O-BETA-[(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[RHAMNOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->6)]-GLUCOPYRANOSYL]-ESTER

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
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