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HEMSLOSIDE-H1;3-O-BETA-[GLUCOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOS
SpectraBase Compound ID 6hEUmEzKWjy
InChI InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-79-48-40(71)36(67)33(64)26(19-60)80-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-46(86-50-41(72)37(68)34(65)27(20-61)81-50)44(43(74)45(85-52)47(75)76)84-49-39(70)32(63)25(62)21-78-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24?,25-,26+,27-,28+,29?,30?,31-,32-,33+,34-,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-,46+,48+,49-,50+,51-,52+,56-,57+,58+,59-/m0/s1
InChIKey JEBITKGZRPWHKN-CZXNLXEVSA-N
Mol Weight 1251.4 g/mol
Molecular Formula C59H94O28
Exact Mass 1250.593162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gh1zbFToiEP
Name HEMSLOSIDE-H1;3-O-BETA-[GLUCOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOS
Compound Number 79
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H94O28
InChI InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-79-48-40(71)36(67)33(64)26(19-60)80-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-46(86-50-41(72)37(68)34(65)27(20-61)81-50)44(43(74)45(85-52)47(75)76)84-49-39(70)32(63)25(62)21-78-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24?,25-,26+,27-,28+,29?,30?,31-,32-,33+,34-,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45-,46+,48+,49-,50+,51-,52+,56-,57+,58+,59-/m0/s1
InChIKey JEBITKGZRPWHKN-CZXNLXEVSA-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 1251.379 g/mol
Solvent C5D5N
Source File Reference UWVN1243