DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCO

SpectraBase Compound ID	LlXVp9bbxso
InChI	InChI=1S/C56H92O24/c1-23(72-53-50(48(69-10)39(60)24(2)73-53)80-52-45(66)43(64)41(62)36(78-52)22-70-51-44(65)42(63)40(61)35(21-57)77-51)31-13-14-32-30-12-11-28-19-29(15-17-55(28,6)33(30)16-18-56(31,32)7)76-37-20-34(67-8)46(26(4)71-37)79-54-49(75-27(5)58)47(68-9)38(59)25(3)74-54/h11,23-26,29-54,57,59-66H,12-22H2,1-10H3/t23-,24-,25-,26+,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+,55-,56+/m0/s1
InChIKey	NTPFJHABFWFHMU-LRTKAEGOSA-N Google Search
Mol Weight	1149.3 g/mol
Molecular Formula	C56H92O24
Exact Mass	1148.597854 g/mol

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SpectraBase Spectrum ID	C7X5bJlNyBG
Name	DELTA(5)-PREGNENE-3-BETA,20(S)-DIOL-3-O-[2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE]-20-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCO
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C56H92O24
InChI	InChI=1S/C56H92O24/c1-23(72-53-50(48(69-10)39(60)24(2)73-53)80-52-45(66)43(64)41(62)36(78-52)22-70-51-44(65)42(63)40(61)35(21-57)77-51)31-13-14-32-30-12-11-28-19-29(15-17-55(28,6)33(30)16-18-56(31,32)7)76-37-20-34(67-8)46(26(4)71-37)79-54-49(75-27(5)58)47(68-9)38(59)25(3)74-54/h11,23-26,29-54,57,59-66H,12-22H2,1-10H3/t23-,24-,25-,26+,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+,55-,56+/m0/s1
InChIKey	NTPFJHABFWFHMU-LRTKAEGOSA-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	1149.332 g/mol
Solvent	PYRIDINE-D5
Source File Reference	UWBK1403