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(25R)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[3-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA
SpectraBase Compound ID J2PTp74pCC1
InChI InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-34(82-57)15-28-26-14-30(61)29-16-33(31(62)17-56(29,4)27(26)11-12-55(28,38)3)74-52-44(69)42(67)47(37(20-60)77-52)79-54-49(81-53-43(68)41(66)39(64)35(18-58)75-53)48(40(65)36(19-59)76-54)80-51-45(70)46(32(63)22-72-51)78-50(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 HZUAYGDTGYYSSM-SMNKQUSUSA-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 DzAnYKjo3Vm
Name (25R)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[3-O-BENZOYL-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRA
Compound Number 3
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)38-34(82-57)15-28-26-14-30(61)29-16-33(31(62)17-56(29,4)27(26)11-12-55(28,38)3)74-52-44(69)42(67)47(37(20-60)77-52)79-54-49(81-53-43(68)41(66)39(64)35(18-58)75-53)48(40(65)36(19-59)76-54)80-51-45(70)46(32(63)22-72-51)78-50(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 HZUAYGDTGYYSSM-SMNKQUSUSA-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 UWLU6441