#3;CANTALASAPONIN-I-B3;(23S,25R)-5-ALPHA-SPIROST-3-BETA,6-ALPHA,23-TRIOL-3-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-6-O-[ALPHA-D-GLUCOPYRANOSYL-

SpectraBase Compound ID	J4Tu9qf4QAk
InChI	InChI=1S/C51H84O25/c1-18-9-31(56)51(67-17-18)19(2)32-26(76-51)12-23-21-11-25(69-46-42(66)38(62)44(30(16-55)73-46)75-48-40(64)36(60)34(58)28(14-53)71-48)24-10-20(5-7-49(24,3)22(21)6-8-50(23,32)4)68-45-41(65)37(61)43(29(15-54)72-45)74-47-39(63)35(59)33(57)27(13-52)70-47/h18-48,52-66H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,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+/m1/s1
InChIKey	SEVXSUDJQJEMMB-CJLVVGEZSA-N Google Search
Mol Weight	1097.2 g/mol
Molecular Formula	C51H84O25
Exact Mass	1096.530168 g/mol

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SpectraBase Spectrum ID	K5nXMtYMggQ
Name	#3;CANTALASAPONIN-I-B3;(23S,25R)-5-ALPHA-SPIROST-3-BETA,6-ALPHA,23-TRIOL-3-O-[ALPHA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-6-O-[ALPHA-D-GLUCOPYRANOSYL-
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C51H84O25
InChI	InChI=1S/C51H84O25/c1-18-9-31(56)51(67-17-18)19(2)32-26(76-51)12-23-21-11-25(69-46-42(66)38(62)44(30(16-55)73-46)75-48-40(64)36(60)34(58)28(14-53)71-48)24-10-20(5-7-49(24,3)22(21)6-8-50(23,32)4)68-45-41(65)37(61)43(29(15-54)72-45)74-47-39(63)35(59)33(57)27(13-52)70-47/h18-48,52-66H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,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+/m1/s1
InChIKey	SEVXSUDJQJEMMB-CJLVVGEZSA-N
Literature Reference Author	L.P.KANG,Y.Z.WANG,B.FENG,H.Z.HUANG,W.B.ZHOU,Y.ZHAO,C.Q.XIONG ,D.W.TAN,X.B.SONG
Literature Reference Citation	MAGN.RES.CHEM.,50,79(2012)
Literature Reference DOI	10.1002/mrc.3797
Molecular Weight	1097.213 g/mol
Solvent	C5D5N
Source File Reference	UWBT16027