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1-BETA,3-BETA-DIHYDROXYPREGNA-5,16-DIEN-20-ONE-1-0-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-6-O-ACETYL-BETA-D-GLUCOPYRANOS
SpectraBase Compound ID 6Ga2ZbWkWp7
InChI InChI=1S/C40H60O17/c1-16(41)22-8-9-23-21-7-6-19-12-20(43)13-27(40(19,5)24(21)10-11-39(22,23)4)55-38-35(57-37-33(50)31(48)28(45)17(2)53-37)34(30(47)26(54-38)15-51-18(3)42)56-36-32(49)29(46)25(44)14-52-36/h6,8,17,20-21,23-38,43-50H,7,9-15H2,1-5H3/t17-,20-,21?,23?,24?,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+/m1/s1
InChIKey BWDHCJYQGMXEHQ-YOUCOBGVSA-N
Mol Weight 812.9 g/mol
Molecular Formula C40H60O17
Exact Mass 812.38305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qR5mNecPPV
Name 1-BETA,3-BETA-DIHYDROXYPREGNA-5,16-DIEN-20-ONE-1-0-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-6-O-ACETYL-BETA-D-GLUCOPYRANOS
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60O17
InChI InChI=1S/C40H60O17/c1-16(41)22-8-9-23-21-7-6-19-12-20(43)13-27(40(19,5)24(21)10-11-39(22,23)4)55-38-35(57-37-33(50)31(48)28(45)17(2)53-37)34(30(47)26(54-38)15-51-18(3)42)56-36-32(49)29(46)25(44)14-52-36/h6,8,17,20-21,23-38,43-50H,7,9-15H2,1-5H3/t17-,20-,21?,23?,24?,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+/m1/s1
InChIKey BWDHCJYQGMXEHQ-YOUCOBGVSA-N
Literature Reference Author Y.MIMAKI,T.INOUE,M.HURODA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,44,107(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00477-3
Molecular Weight 812.906 g/mol
Solvent C5D5N
Source File Reference UWUC204