DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->

SpectraBase Compound ID	4ViVEPJtoWV
InChI	InChI=1S/C54H90O23/c1-22(70-52-48(47(67-9)37(57)24(3)72-52)77-50-43(63)41(61)39(59)34(75-50)21-68-49-42(62)40(60)38(58)33(20-55)74-49)29-12-13-30-28-11-10-26-18-27(14-16-53(26,5)31(28)15-17-54(29,30)6)73-35-19-32(65-7)45(25(4)69-35)76-51-44(64)46(66-8)36(56)23(2)71-51/h10,22-25,27-52,55-64H,11-21H2,1-9H3/t22?,23-,24-,25+,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-,53-,54+/m0/s1
InChIKey	DEZMVCJXFXCWIT-FANHAIIGSA-N Google Search
Mol Weight	1107.3 g/mol
Molecular Formula	C54H90O23
Exact Mass	1106.587289 g/mol

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SpectraBase Spectrum ID	Gh5uooCMUF7
Name	DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C54H90O23
InChI	InChI=1S/C54H90O23/c1-22(70-52-48(47(67-9)37(57)24(3)72-52)77-50-43(63)41(61)39(59)34(75-50)21-68-49-42(62)40(60)38(58)33(20-55)74-49)29-12-13-30-28-11-10-26-18-27(14-16-53(26,5)31(28)15-17-54(29,30)6)73-35-19-32(65-7)45(25(4)69-35)76-51-44(64)46(66-8)36(56)23(2)71-51/h10,22-25,27-52,55-64H,11-21H2,1-9H3/t22?,23-,24-,25+,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-,53-,54+/m0/s1
InChIKey	DEZMVCJXFXCWIT-FANHAIIGSA-N
Literature Reference Author	H.ITOKAWA,J.XU,K.TAKEYA
Literature Reference Citation	PHYTOCHEM.,27,1173(1988)
Literature Reference DOI	10.1016/0031-9422(88)80297-8
Molecular Weight	1107.295 g/mol
Solvent	PYRIDINE-D5
Source File Reference	UWBK1393