John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KdLubvtdKBw SpectraBase Spectrum ID=3Ltj5aOScxb

(accessed ).
#9;(23S,25R)-17-ALPHA,23-EPOXY-29-HYDROXY-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABI
SpectraBase Compound ID KdLubvtdKBw
InChI InChI=1S/C59H94O28/c1-23-16-58(86-48(23)75)17-24(2)59(87-58)15-14-56(6)27-8-9-32-54(4,26(27)10-13-57(56,59)7)12-11-33(55(32,5)22-62)82-50-43(73)41(71)37(67)31(81-50)21-77-52-46(35(65)28(63)20-76-52)84-53-47(85-49-42(72)39(69)34(64)25(3)78-49)45(38(68)30(19-61)80-53)83-51-44(74)40(70)36(66)29(18-60)79-51/h23-25,28-47,49-53,60-74H,8-22H2,1-7H3/t23-,24-,25+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58+,59+/m1/s1
InChIKey CMHXUBSOBRQNSP-XUJDPLKASA-N
Mol Weight 1251.4 g/mol
Molecular Formula C59H94O28
Exact Mass 1250.593163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ltj5aOScxb
Name #9;(23S,25R)-17-ALPHA,23-EPOXY-29-HYDROXY-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABI
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H94O28
InChI InChI=1S/C59H94O28/c1-23-16-58(86-48(23)75)17-24(2)59(87-58)15-14-56(6)27-8-9-32-54(4,26(27)10-13-57(56,59)7)12-11-33(55(32,5)22-62)82-50-43(73)41(71)37(67)31(81-50)21-77-52-46(35(65)28(63)20-76-52)84-53-47(85-49-42(72)39(69)34(64)25(3)78-49)45(38(68)30(19-61)80-53)83-51-44(74)40(70)36(66)29(18-60)79-51/h23-25,28-47,49-53,60-74H,8-22H2,1-7H3/t23-,24-,25+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,49+,50+,51+,52+,53+,54-,55-,56+,57+,58+,59+/m1/s1
InChIKey CMHXUBSOBRQNSP-XUJDPLKASA-N
Literature Reference Author K.ORI,M.KURODA,H.SAKAGAMI,Y.SASHIDA
Literature Reference Citation CHEM.PHARM.BULL.,51,92(2003)
Literature Reference DOI 10.1248/cpb.51.92
Molecular Weight 1251.379 g/mol
Solvent C5D5N
Source File Reference UWMS21060
SpectraBase Batch ID JxTLOePWgmo