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28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-QUILLAIC-ACID
SpectraBase Compound ID CFZP4DZBxtz
InChI InChI=1S/C53H84O22/c1-22-32(59)36(63)42(74-45-39(66)41(73-44-38(65)35(62)34(61)27(19-54)71-44)40(23(2)70-45)72-43-37(64)33(60)26(56)20-68-43)46(69-22)75-47(67)53-16-15-48(3,4)17-25(53)24-9-10-29-49(5)13-12-30(57)50(6,21-55)28(49)11-14-51(29,7)52(24,8)18-31(53)58/h9,21-23,25-46,54,56-66H,10-20H2,1-8H3/t22-,23+,25?,26-,27+,28?,29?,30+,31-,32+,33+,34+,35-,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,49+,50+,51-,52-,53-/m1/s1
InChIKey HVXIEHBVAAWPOF-SOPWSDFISA-N
Mol Weight 1073.2 g/mol
Molecular Formula C53H84O22
Exact Mass 1072.545424 g/mol
Enantiomer InChIKey HVXIEHBVAAWPOF-ZKJUBWKOSA-N
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
Unknown Identification

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