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#21;BRA-17;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-3-BETA,16-ALPHA,28-TRIHYDROXY-OLEAN-11,13(18)-DIENE-21-ONE
SpectraBase Compound ID A4gwLxJD412
InChI InChI=1S/C48H76O17/c1-21-31(53)34(56)37(59)40(60-21)64-39-36(58)33(55)25(19-49)62-42(39)65-38-35(57)32(54)22(2)61-41(38)63-30-13-14-45(7)26(44(30,5)6)12-15-46(8)27(45)11-10-23-24-16-43(3,4)28(51)18-48(24,20-50)29(52)17-47(23,46)9/h10-11,21-22,25-27,29-42,49-50,52-59H,12-20H2,1-9H3/t21-,22+,25+,26-,27+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48+/m0/s1
InChIKey KZAWAPHMGOYPBR-LZKDANGNSA-N
Mol Weight 925.1 g/mol
Molecular Formula C48H76O17
Exact Mass 924.508251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7upzxvFrxUy
Name #21;BRA-17;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-3-BETA,16-ALPHA,28-TRIHYDROXY-OLEAN-11,13(18)-DIENE-21-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O17
InChI InChI=1S/C48H76O17/c1-21-31(53)34(56)37(59)40(60-21)64-39-36(58)33(55)25(19-49)62-42(39)65-38-35(57)32(54)22(2)61-41(38)63-30-13-14-45(7)26(44(30,5)6)12-15-46(8)27(45)11-10-23-24-16-43(3,4)28(51)18-48(24,20-50)29(52)17-47(23,46)9/h10-11,21-22,25-27,29-42,49-50,52-59H,12-20H2,1-9H3/t21-,22+,25+,26-,27+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48+/m0/s1
InChIKey KZAWAPHMGOYPBR-LZKDANGNSA-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 925.121 g/mol
Source File Reference UWIR3698