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#63;CHINENOSIDE-II;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROST-6-ON-20(22)-ENE-3-O-[BETA-D-XYLOPYRANOSYL-(1->4)]-[ALPHA-L-ARABINOPYRANO
SpectraBase Compound ID DKlOIzNz0jL
InChI InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21+,22-,23+,24+,25-,27+,28+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-,42-,43-,44+,45-,46-,47-,48?,49?/m1/s1
InChIKey ALMJXWPCHVBUTP-SZBAQTDBSA-N
Mol Weight 1019.1 g/mol
Molecular Formula C49H78O22
Exact Mass 1018.498474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzC9Bjh6v0K
Name #63;CHINENOSIDE-II;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROST-6-ON-20(22)-ENE-3-O-[BETA-D-XYLOPYRANOSYL-(1->4)]-[ALPHA-L-ARABINOPYRANO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H78O22
InChI InChI=1S/C49H78O22/c1-19(15-63-45-41(61)37(57)36(56)31(14-50)69-45)5-6-29-20(2)33-30(68-29)13-24-22-12-26(51)25-11-21(7-9-48(25,3)23(22)8-10-49(24,33)4)67-47-42(62)38(58)43(71-46-40(60)35(55)28(53)17-65-46)32(70-47)18-66-44-39(59)34(54)27(52)16-64-44/h19,21-25,27-28,30-47,50,52-62H,5-18H2,1-4H3/t19-,21+,22-,23+,24+,25-,27+,28+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-,42-,43-,44+,45-,46-,47-,48?,49?/m1/s1
InChIKey ALMJXWPCHVBUTP-SZBAQTDBSA-N
Literature Reference Author P.K.AGRAWAL
Literature Reference Citation STEROIDS,70,715(2005)
Literature Reference DOI 10.1016/j.steroids.2005.04.001
Molecular Weight 1019.145 g/mol
Sample ID 968808
Solvent C5D5N