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NEOSIBIRICOSIDE_C;(25-S)-SPIROST-5-EN-3-BETA-O_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-2-O-ACET
SpectraBase Compound ID DCizNqi3NFf
InChI InChI=1S/C52H82O23/c1-21-8-13-52(66-19-21)22(2)34-30(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)68-48-44(67-23(3)56)41(64)42(33(18-55)71-48)72-49-45(74-47-40(63)38(61)36(59)31(16-53)69-47)43(37(60)32(17-54)70-49)73-46-39(62)35(58)29(57)20-65-46/h6,21-22,25-49,53-55,57-64H,7-20H2,1-5H3/t21-,22+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+/m1/s1
InChIKey QLNNJPNPPJBURT-MQOKMBBGSA-N
Mol Weight 1075.2 g/mol
Molecular Formula C52H82O23
Exact Mass 1074.524689 g/mol
Enantiomer InChIKey QLNNJPNPPJBURT-FECAESQMSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Steroidal Saponins from the Rhizomes of Polygonatum sibiricum Journal of Natural Products 2006
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