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BRA-22;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-3-BETA,16,28,30-TETRAHYDROXY-OLEAN-11,13(18)-DIENE
SpectraBase Compound ID 62m6SS5Ief3
InChI InChI=1S/C48H78O17/c1-22-31(53)34(56)37(59)40(60-22)64-39-36(58)33(55)26(19-49)62-42(39)65-38-35(57)32(54)23(2)61-41(38)63-30-12-13-45(6)27(43(30,3)4)11-14-46(7)28(45)10-9-24-25-17-44(5,20-50)15-16-48(25,21-51)29(52)18-47(24,46)8/h9-10,22-23,26-42,49-59H,11-21H2,1-8H3/t22-,23+,26+,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45-,46+,47+,48+/m0/s1
InChIKey KKJSKTXSYRZZNC-SKKYBCSOSA-N
Mol Weight 927.1 g/mol
Molecular Formula C48H78O17
Exact Mass 926.523901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cs0L1nMUNVg
Name BRA-22;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-3-BETA,16,28,30-TETRAHYDROXY-OLEAN-11,13(18)-DIENE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O17
InChI InChI=1S/C48H78O17/c1-22-31(53)34(56)37(59)40(60-22)64-39-36(58)33(55)26(19-49)62-42(39)65-38-35(57)32(54)23(2)61-41(38)63-30-12-13-45(6)27(43(30,3)4)11-14-46(7)28(45)10-9-24-25-17-44(5,20-50)15-16-48(25,21-51)29(52)18-47(24,46)8/h9-10,22-23,26-42,49-59H,11-21H2,1-8H3/t22-,23+,26+,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45-,46+,47+,48+/m0/s1
InChIKey KKJSKTXSYRZZNC-SKKYBCSOSA-N
Literature Reference Author Y.NAKAHARA,M.OKAWA,J.KINJO,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,59,1329(2011)
Literature Reference DOI 10.1248/cpb.59.1329
Molecular Weight 927.137 g/mol
Source File Reference UWIR3695