25(S)-SCHIDIGERA-SAPONIN-E1;25(S)-5-BETA-SPIROSTAN-3-BETA-OL-12-ONE-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCO

SpectraBase Compound ID	5sO0a1kfyiB
InChI	InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,5-17H2,1-4H3/t18-,19-,20+,21-,22?,23?,24?,25+,26?,27-,28+,30?,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+/m0/s1
InChIKey	AADIIQJBIMAADJ-MIMVNHNHSA-N Google Search
Mol Weight	887.0 g/mol
Molecular Formula	C44H70O18
Exact Mass	886.456215 g/mol

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SpectraBase Spectrum ID	CKiXzBscXN
Name	25(S)-SCHIDIGERA-SAPONIN-E1;25(S)-5-BETA-SPIROSTAN-3-BETA-OL-12-ONE-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCO
Compound Number	12S
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C44H70O18
InChI	InChI=1S/C44H70O18/c1-18-7-10-44(56-16-18)19(2)30-26(62-44)12-24-22-6-5-20-11-21(8-9-42(20,3)23(22)13-29(48)43(24,30)4)57-41-38(61-40-36(54)34(52)32(50)27(14-45)58-40)37(33(51)28(15-46)59-41)60-39-35(53)31(49)25(47)17-55-39/h18-28,30-41,45-47,49-54H,5-17H2,1-4H3/t18-,19-,20+,21-,22?,23?,24?,25+,26?,27-,28+,30?,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+/m0/s1
InChIKey	AADIIQJBIMAADJ-MIMVNHNHSA-N
Literature Reference Author	M.MIYAKOSHI,Y.TAMURA,H.MASUDA,K.MIZUTANI,O.TANAKA,T.IKEDA,K. OHTANI,R.KASAI,K.YAM
Literature Reference Citation	J.NAT.PROD.,63,332(2000)
Literature Reference DOI	10.1021/np9904354
Molecular Weight	887.029 g/mol
Solvent	C5D5N
Source File Reference	UWVP7307