John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=J9DRbpnfsew SpectraBase Spectrum ID=2AkVCoLBBGz

(accessed ).
3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOP
SpectraBase Compound ID J9DRbpnfsew
InChI InChI=1S/C80H122O42/c1-29-56(116-68-51(96)47(92)40(27-107-68)114-69-54(99)58(38(88)26-106-69)117-66-49(94)44(89)36(86)24-104-66)60(111-32(4)84)55(100)71(108-29)121-64-62(112-33(5)85)57(110-31(3)83)30(2)109-72(64)122-74(103)80-20-18-75(6,7)22-35(80)34-12-13-42-76(8)16-15-43(77(9,28-82)41(76)14-17-79(42,11)78(34,10)19-21-80)115-73-63(120-70-52(97)48(93)46(91)39(23-81)113-70)59(53(98)61(119-73)65(101)102)118-67-50(95)45(90)37(87)25-105-67/h12,28-30,35-64,66-73,81,86-100H,13-27H2,1-11H3,(H,101,102)/t29-,30+,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+,60-,61+,62-,63-,64+,66-,67+,68+,69-,70-,71-,72-,73-,76-,77-,78+,79+,80-/m0/s1
InChIKey PUHPPDLMRUDFLF-HYAIWOEISA-N
Mol Weight 1755.8 g/mol
Molecular Formula C80H122O42
Exact Mass 1754.741069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AkVCoLBBGz
Name 3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOP
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H122O42
InChI InChI=1S/C80H122O42/c1-29-56(116-68-51(96)47(92)40(27-107-68)114-69-54(99)58(38(88)26-106-69)117-66-49(94)44(89)36(86)24-104-66)60(111-32(4)84)55(100)71(108-29)121-64-62(112-33(5)85)57(110-31(3)83)30(2)109-72(64)122-74(103)80-20-18-75(6,7)22-35(80)34-12-13-42-76(8)16-15-43(77(9,28-82)41(76)14-17-79(42,11)78(34,10)19-21-80)115-73-63(120-70-52(97)48(93)46(91)39(23-81)113-70)59(53(98)61(119-73)65(101)102)118-67-50(95)45(90)37(87)25-105-67/h12,28-30,35-64,66-73,81,86-100H,13-27H2,1-11H3,(H,101,102)/t29-,30+,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+,60-,61+,62-,63-,64+,66-,67+,68+,69-,70-,71-,72-,73-,76-,77-,78+,79+,80-/m0/s1
InChIKey PUHPPDLMRUDFLF-HYAIWOEISA-N
Literature Reference Author G.GAIDI,T.MIYAMOTO,A.RUSTAIYAN,M.A.LACAILLE-DUBOIS
Literature Reference Citation J.NAT.PROD.,64,920(2001)
Literature Reference DOI 10.1021/np010002c
Molecular Weight 1755.823 g/mol
Solvent DMSO-D6
Source File Reference UWSI1221
SpectraBase Batch ID F9DeRP4ZaLS