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object
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_id
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DDgFEUjgEmQ
spectrumID
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DDgFEUjgEmQ
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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compound
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SCABEROSIDE-HH;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->
SpectraBase Compound ID 3DP4sTlBVVB
InChI InChI=1S/C75H120O39/c1-26-39(82)43(86)48(91)64(103-26)109-55-33(80)25-102-67(58(55)112-65-50(93)45(88)53(27(2)104-65)107-63-52(95)54(32(79)24-101-63)108-61-46(89)40(83)30(77)22-99-61)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)106-68-59(113-66-49(92)44(87)42(85)34(21-76)105-66)56(51(94)57(111-68)60(96)98-10)110-62-47(90)41(84)31(78)23-100-62/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-/m1/s1
InChIKey SXIZNRXQJSDMQG-QVKMHSAFSA-N
Mol Weight 1645.7 g/mol
Molecular Formula C75H120O39
Exact Mass 1644.740674 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDgFEUjgEmQ
Name SCABEROSIDE-HH;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->
Compound Number 34
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H120O39
InChI InChI=1S/C75H120O39/c1-26-39(82)43(86)48(91)64(103-26)109-55-33(80)25-102-67(58(55)112-65-50(93)45(88)53(27(2)104-65)107-63-52(95)54(32(79)24-101-63)108-61-46(89)40(83)30(77)22-99-61)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)106-68-59(113-66-49(92)44(87)42(85)34(21-76)105-66)56(51(94)57(111-68)60(96)98-10)110-62-47(90)41(84)31(78)23-100-62/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-/m1/s1
InChIKey SXIZNRXQJSDMQG-QVKMHSAFSA-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 UWVN1048
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