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BRETSCHNOSIDE-B;3-O-ALPHA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-28-O

View entire compound with spectra: 1 NMR

BRETSCHNOSIDE-B;3-O-ALPHA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-28-O
SpectraBase Compound ID 5Tv888uchLO
InChI InChI=1S/C64H104O30/c1-25-36(69)50(92-53-47(80)49(29(68)23-83-53)91-54-45(78)42(75)39(72)31(21-66)88-54)48(81)56(86-25)93-51-37(70)28(67)22-84-57(51)90-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-55-46(79)43(76)40(73)32(89-55)24-85-52-44(77)41(74)38(71)30(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,27-,28+,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-,61-,62+,63+,64-/m0/s1
InChIKey XCUHLMFQHFPBAI-CYPMDWSNSA-N
Mol Weight 1353.5 g/mol
Molecular Formula C64H104O30
Exact Mass 1352.661242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NxHGZuIfHL
Name BRETSCHNOSIDE-B;3-O-ALPHA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-28-O
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O30
InChI InChI=1S/C64H104O30/c1-25-36(69)50(92-53-47(80)49(29(68)23-83-53)91-54-45(78)42(75)39(72)31(21-66)88-54)48(81)56(86-25)93-51-37(70)28(67)22-84-57(51)90-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-55-46(79)43(76)40(73)32(89-55)24-85-52-44(77)41(74)38(71)30(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,27-,28+,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-,61-,62+,63+,64-/m0/s1
InChIKey XCUHLMFQHFPBAI-CYPMDWSNSA-N
Literature Reference Author J.TIAN,F.E.WU,M.H.QIU,R.L.NIE
Literature Reference Citation PHYTOCHEM.,32,1539(1993)
Literature Reference DOI 10.1016/0031-9422(93)85175-Q
Molecular Weight 1353.512 g/mol
Solvent C5D5N
Source File Reference UWLU6634