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#2;SANCHAKASAPONIN-B;16-O-(S)-2-METHYLBUTYROYL-A1-BARRIGENOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-B
SpectraBase Compound ID GY48jLpQSIq
InChI InChI=1S/C59H96O26/c1-11-23(2)49(76)85-47-46(73)58(10)25(26-18-54(4,5)19-31(63)59(26,47)22-62)12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,58)9)80-53-45(84-51-40(71)37(68)34(65)27(20-60)78-51)42(41(72)43(82-53)48(74)75)81-52-44(38(69)35(66)28(21-61)79-52)83-50-39(70)36(67)33(64)24(3)77-50/h12,23-24,26-47,50-53,60-73H,11,13-22H2,1-10H3,(H,74,75)/t23-,24+,26-,27+,28-,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,50+,51-,52+,53-,56-,57+,58-,59+/m0/s1
InChIKey XRAYNAZMYYMVBU-GFWOZMRTSA-N
Mol Weight 1221.4 g/mol
Molecular Formula C59H96O26
Exact Mass 1220.618983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWUS8kAsDZ9
Name #2;SANCHAKASAPONIN-B;16-O-(S)-2-METHYLBUTYROYL-A1-BARRIGENOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H96O26
InChI InChI=1S/C59H96O26/c1-11-23(2)49(76)85-47-46(73)58(10)25(26-18-54(4,5)19-31(63)59(26,47)22-62)12-13-30-56(8)16-15-32(55(6,7)29(56)14-17-57(30,58)9)80-53-45(84-51-40(71)37(68)34(65)27(20-60)78-51)42(41(72)43(82-53)48(74)75)81-52-44(38(69)35(66)28(21-61)79-52)83-50-39(70)36(67)33(64)24(3)77-50/h12,23-24,26-47,50-53,60-73H,11,13-22H2,1-10H3,(H,74,75)/t23-,24+,26-,27+,28-,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,50+,51-,52+,53-,56-,57+,58-,59+/m0/s1
InChIKey XRAYNAZMYYMVBU-GFWOZMRTSA-N
Literature Reference Author K.FUJIMOTO,S.NAKAMURA,S.NAKASHIMA,T.MATSUMOTO,K.UNO,T.OHTA,T .MIURA,H.MATSUDA,M.Y
Literature Reference Citation CHEM.PHARM.BULL.,60,1188(2012)
Literature Reference DOI 10.1248/cpb.c12-00473
Molecular Weight 1221.396 g/mol
Source File Reference UWBT4510