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(25R)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA
SpectraBase Compound ID 8Q3OLBICzWx
InChI InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-33(82-57)15-28-26-14-30(61)29-16-32(31(62)17-56(29,4)27(26)11-12-55(28,38)3)75-52-46(70)43(67)47(36(20-60)78-52)79-54-49(81-53-45(69)42(66)39(63)34(18-58)76-53)48(41(65)35(19-59)77-54)80-51-44(68)40(64)37(22-72-51)74-50(71)25-8-6-5-7-9-25/h5-9,23-24,26-49,51-54,58-70H,10-22H2,1-4H3/t23-,24+,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46+,47-,48+,49-,51-,52+,53+,54+,55+,56-,57+/m1/s1
InChIKey AYCHQBWMWFEPIH-QXHKUCTRSA-N
Mol Weight 1171.3 g/mol
Molecular Formula C57H86O25
Exact Mass 1170.545818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wcNFXbFtKe
Name (25S)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H86O25
InChI InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-33(82-57)15-28-26-14-30(61)29-16-32(31(62)17-56(29,4)27(26)11-12-55(28,38)3)75-52-46(70)43(67)47(36(20-60)78-52)79-54-49(81-53-45(69)42(66)39(63)34(18-58)76-53)48(41(65)35(19-59)77-54)80-51-44(68)40(64)37(22-72-51)74-50(71)25-8-6-5-7-9-25/h5-9,23-24,26-49,51-54,58-70H,10-22H2,1-4H3/t23-,24+,26-,27+,28+,29-,30-,31-,32-,33+,34-,35+,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46+,47-,48+,49-,51-,52+,53+,54+,55+,56-,57+/m1/s1
InChIKey AYCHQBWMWFEPIH-QXHKUCTRSA-N
Literature Reference Author K.KAWASHIMA,Y.MIMAKI,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,32,1267(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95103-3
Molecular Weight 1171.295 g/mol
Solvent C5D5N
Source File Reference UWLU6440