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SIEBOLDIANOSIDE-B
SpectraBase Compound ID KTvWil5jn7s
InChI InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-31(21-65)87-52(47(79)43(49)75)84-24-32-40(72)42(74)46(78)55(88-32)93-58(81)64-18-16-59(3,4)20-28(64)27-10-11-34-61(7)14-13-35(60(5,6)33(61)12-15-63(34,9)62(27,8)17-19-64)89-57-51(39(71)30(67)23-83-57)92-56-48(80)50(37(69)26(2)86-56)91-53-44(76)38(70)29(66)22-82-53/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26+,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+/m1/s1
InChIKey GROQHEZXWUJYNW-NERRRLLBSA-N
Mol Weight 1337.5 g/mol
Molecular Formula C64H104O29
Exact Mass 1336.666327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ewn6xkDQzx
Name SIEBOLDIANOSIDE-B;#3;3-O-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H104O29
InChI InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-31(21-65)87-52(47(79)43(49)75)84-24-32-40(72)42(74)46(78)55(88-32)93-58(81)64-18-16-59(3,4)20-28(64)27-10-11-34-61(7)14-13-35(60(5,6)33(61)12-15-63(34,9)62(27,8)17-19-64)89-57-51(39(71)30(67)23-83-57)92-56-48(80)50(37(69)26(2)86-56)91-53-44(76)38(70)29(66)22-82-53/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26+,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+/m1/s1
InChIKey GROQHEZXWUJYNW-NERRRLLBSA-N
Literature Reference Author H.SAWADA,M.MIYAKOSHI,S.ISODA,Y.IDA,J.SHOJI
Literature Reference Citation PHYTOCHEM.,34,1117(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90727-1
Molecular Weight 1337.512 g/mol
Solvent C5D5N
Source File Reference UWVN6929