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#4;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-23-O-BETA-D-GLUCOPYRANOSYL-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRAN
SpectraBase Compound ID 14PhotLMzr7
InChI InChI=1S/C60H96O30/c1-55(2)13-15-60(16-14-57(4)23(24(60)17-55)7-8-30-56(3)11-10-32(65)59(6,31(56)9-12-58(30,57)5)53(79)89-50-44(77)40(73)35(68)27(20-63)84-50)54(80)90-51-45(78)46(37(70)29(86-51)22-81-48-42(75)38(71)33(66)25(18-61)82-48)87-52-47(41(74)36(69)28(21-64)85-52)88-49-43(76)39(72)34(67)26(19-62)83-49/h7,24-52,61-78H,8-22H2,1-6H3/t24-,25+,26+,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-,56?,57?,58?,59-,60-/m0/s1
InChIKey CQEMPDWDNVENEY-JYEPPZJBSA-N
Mol Weight 1297.4 g/mol
Molecular Formula C60H96O30
Exact Mass 1296.598642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UdZUq2vuJi
Name #4;3-BETA-HYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID-23-O-BETA-D-GLUCOPYRANOSYL-28-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)]-[BETA-D-GLUCOPYRAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H96O30
InChI InChI=1S/C60H96O30/c1-55(2)13-15-60(16-14-57(4)23(24(60)17-55)7-8-30-56(3)11-10-32(65)59(6,31(56)9-12-58(30,57)5)53(79)89-50-44(77)40(73)35(68)27(20-63)84-50)54(80)90-51-45(78)46(37(70)29(86-51)22-81-48-42(75)38(71)33(66)25(18-61)82-48)87-52-47(41(74)36(69)28(21-64)85-52)88-49-43(76)39(72)34(67)26(19-62)83-49/h7,24-52,61-78H,8-22H2,1-6H3/t24-,25+,26+,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-,56?,57?,58?,59-,60-/m0/s1
InChIKey CQEMPDWDNVENEY-JYEPPZJBSA-N
Literature Reference Author M.H.A.ELGAMAL,H.S.M.SOLIMAN,M.S.KARAWYA,B.MIKHOVA,H.DUDDECK
Literature Reference Citation PHYTOCHEM.,38,1481(1995)
Literature Reference DOI 10.1016/0031-9422(94)00900-E
Molecular Weight 1297.404 g/mol
Solvent C5D5N
Source File Reference UWMS4062