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(25S)-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-ALPHA-METHOXYFUROSTA-5,20(22)-DIEN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-
SpectraBase Compound ID DnjUGwaHbaI
InChI InChI=1S/C59H94O27/c1-22(20-76-53-46(71)43(68)39(64)34(18-60)81-53)8-11-32-23(2)37-33(80-32)17-31-29-10-9-27-16-28(12-14-58(27,6)30(29)13-15-59(31,37)7)79-57-52(86-54-47(72)42(67)38(63)24(3)77-54)51(41(66)36(83-57)21-75-26(5)62)85-55-49(74)45(70)50(25(4)78-55)84-56-48(73)44(69)40(65)35(19-61)82-56/h9,22,24-25,28-31,33-57,60-61,63-74H,8,10-21H2,1-7H3/t22-,24-,25+,28+,29-,30+,31+,33+,34-,35+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45+,46-,47+,48+,49-,50+,51+,52-,53-,54-,55+,56-,57-,58+,59+/m1/s1
InChIKey CMHDLIJKTBWHGX-YFWVYLRISA-N
Mol Weight 1235.4 g/mol
Molecular Formula C59H94O27
Exact Mass 1234.598248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CimRw4uRrXn
Name (25S)-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-ALPHA-METHOXYFUROSTA-5,20(22)-DIEN-3-BETA-YL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H94O27
InChI InChI=1S/C59H94O27/c1-22(20-76-53-46(71)43(68)39(64)34(18-60)81-53)8-11-32-23(2)37-33(80-32)17-31-29-10-9-27-16-28(12-14-58(27,6)30(29)13-15-59(31,37)7)79-57-52(86-54-47(72)42(67)38(63)24(3)77-54)51(41(66)36(83-57)21-75-26(5)62)85-55-49(74)45(70)50(25(4)78-55)84-56-48(73)44(69)40(65)35(19-61)82-56/h9,22,24-25,28-31,33-57,60-61,63-74H,8,10-21H2,1-7H3/t22-,24-,25+,28+,29-,30+,31+,33+,34-,35+,36-,37+,38-,39-,40+,41-,42+,43+,44-,45+,46-,47+,48+,49-,50+,51+,52-,53-,54-,55+,56-,57-,58+,59+/m1/s1
InChIKey CMHDLIJKTBWHGX-YFWVYLRISA-N
Literature Reference Author A.YOKOSUKA,Y.MIMAKI,Y.SASHIDA
Literature Reference Citation J.NAT.PROD.,65,1293(2002)
Literature Reference DOI 10.1021/np020094l
Molecular Weight 1235.379 g/mol
Solvent C5D5N
Source File Reference UWSI5193