Debug Info

object
{15}
_id
:
FU26CReO1pM
spectrumID
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FU26CReO1pM
cost
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1
specType
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262144
xnmrNucleus
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0
dbLocation
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WRX:78518:1
hasStructureAssignments
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true
properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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RUBICUNOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANO
SpectraBase Compound ID BkcuvXGmGSk
InChI InChI=1S/C72H112O38/c1-25-51(104-59-44(86)38(80)30(77)22-96-59)42(84)47(89)61(98-25)105-52-26(2)99-64(56(49(52)91)108-63-48(90)43(85)53(100-27(3)76)33(21-74)102-63)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-57(109-62-46(88)41(83)40(82)32(20-73)101-62)54(50(92)55(107-65)58(93)94)106-60-45(87)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)/t25-,26+,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+,59+,60-,61-,62+,63-,64-,65+,68-,69-,70+,71+,72+/m0/s1
InChIKey WWXTUQDTGKVRDN-TXGDNKASSA-N
Mol Weight 1585.6 g/mol
Molecular Formula C72H112O38
Exact Mass 1584.683159 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 FU26CReO1pM
Name RUBICUNOSIDE-C;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-QUILLAIC-ACID-28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANO
Compound Number 148
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H112O38
InChI InChI=1S/C72H112O38/c1-25-51(104-59-44(86)38(80)30(77)22-96-59)42(84)47(89)61(98-25)105-52-26(2)99-64(56(49(52)91)108-63-48(90)43(85)53(100-27(3)76)33(21-74)102-63)110-66(95)72-17-16-67(4,5)18-29(72)28-10-11-35-68(6)14-13-37(69(7,24-75)34(68)12-15-70(35,8)71(28,9)19-36(72)79)103-65-57(109-62-46(88)41(83)40(82)32(20-73)101-62)54(50(92)55(107-65)58(93)94)106-60-45(87)39(81)31(78)23-97-60/h10,24-26,29-57,59-65,73-74,77-92H,11-23H2,1-9H3,(H,93,94)/t25-,26+,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+,59+,60-,61-,62+,63-,64-,65+,68-,69-,70+,71+,72+/m0/s1
InChIKey WWXTUQDTGKVRDN-TXGDNKASSA-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 1585.658 g/mol
Solvent C5D5N
Source File Reference UWVN1319
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