John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Kcng5O2EvzD SpectraBase Spectrum ID=27ycDStSsNp

(accessed ).
SCABEROSIDE-HI;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)
SpectraBase Compound ID Kcng5O2EvzD
InChI InChI=1S/C75H120O39/c1-26-39(82)43(86)49(92)64(103-26)109-55-33(80)25-102-67(59(55)113-66-52(95)56(53(27(2)104-66)107-61-47(90)40(83)30(77)22-99-61)110-63-51(94)54(32(79)24-101-63)108-62-48(91)41(84)31(78)23-100-62)114-69(97)75-18-17-70(3,4)19-29(75)28-11-12-36-72(7)15-14-38(71(5,6)35(72)13-16-73(36,8)74(28,9)20-37(75)81)106-68-58(46(89)45(88)57(111-68)60(96)98-10)112-65-50(93)44(87)42(85)34(21-76)105-65/h11,26-27,29-59,61-68,76-95H,12-25H2,1-10H3/t26-,27-,29?,30+,31+,32+,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+,61-,62-,63-,64-,65-,66-,67-,68+,72-,73+,74+,75+/m0/s1
InChIKey FGEOAOZNQMBEDD-GOWTVKDMSA-N
Mol Weight 1645.7 g/mol
Molecular Formula C75H120O39
Exact Mass 1644.740675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27ycDStSsNp
Name SCABEROSIDE-HI;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)
Compound Number 35
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H120O39
InChI InChI=1S/C75H120O39/c1-26-39(82)43(86)49(92)64(103-26)109-55-33(80)25-102-67(59(55)113-66-52(95)56(53(27(2)104-66)107-61-47(90)40(83)30(77)22-99-61)110-63-51(94)54(32(79)24-101-63)108-62-48(91)41(84)31(78)23-100-62)114-69(97)75-18-17-70(3,4)19-29(75)28-11-12-36-72(7)15-14-38(71(5,6)35(72)13-16-73(36,8)74(28,9)20-37(75)81)106-68-58(46(89)45(88)57(111-68)60(96)98-10)112-65-50(93)44(87)42(85)34(21-76)105-65/h11,26-27,29-59,61-68,76-95H,12-25H2,1-10H3/t26-,27-,29?,30+,31+,32+,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+,61-,62-,63-,64-,65-,66-,67-,68+,72-,73+,74+,75+/m0/s1
InChIKey FGEOAOZNQMBEDD-GOWTVKDMSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1645.754 g/mol
Solvent C5D5N
Source File Reference UWVN1049
SpectraBase Batch ID aSoNm4Kug