12-O-ACETYLLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]

SpectraBase Compound ID	1lfi9UHvoRb
InChI	InChI=1S/C49H78O18/c1-23(50)31-13-16-49(56)47(31,8)37(63-28(6)51)22-36-46(7)14-12-30(17-29(46)11-15-48(36,49)55)64-40-21-35(58-10)45(27(5)62-40)67-39-19-33(53)43(25(3)61-39)65-38-18-32(52)44(26(4)60-38)66-41-20-34(57-9)42(54)24(2)59-41/h11,24-27,30-45,52-56H,12-22H2,1-10H3/t24-,25-,26-,27+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46-,47-,48-,49+/m0/s1
InChIKey	QJCQLSCHXQYDCB-MXHDHDSGSA-N Google Search
Mol Weight	955.1 g/mol
Molecular Formula	C49H78O18
Exact Mass	954.518816 g/mol

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SpectraBase Spectrum ID	AbYfiBYTdRq
Name	12-O-ACETYLLINEOLON-3-O-BETA-D-[OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMAROPYRANOSIDE]
Compound Number	19
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C49H78O18
InChI	InChI=1S/C49H78O18/c1-23(50)31-13-16-49(56)47(31,8)37(63-28(6)51)22-36-46(7)14-12-30(17-29(46)11-15-48(36,49)55)64-40-21-35(58-10)45(27(5)62-40)67-39-19-33(53)43(25(3)61-39)65-38-18-32(52)44(26(4)60-38)66-41-20-34(57-9)42(54)24(2)59-41/h11,24-27,30-45,52-56H,12-22H2,1-10H3/t24-,25-,26-,27+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45+,46-,47-,48-,49+/m0/s1
InChIKey	QJCQLSCHXQYDCB-MXHDHDSGSA-N
Literature Reference Author	T.WARASHINA,T.NORO
Literature Reference Citation	PHYTOCHEM.,53,485(2000)
Literature Reference DOI	10.1016/S0031-9422(99)00560-9
Molecular Weight	955.148 g/mol
Solvent	C5D5N
Source File Reference	UWLU2047