John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1If9Iw74Tbz SpectraBase Spectrum ID=5glikKiaq1v

(accessed ).
BIFINOSIDE-A;OLEANOLIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE-6-O-METHYLESTER
SpectraBase Compound ID 1If9Iw74Tbz
InChI InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-32(29(46)28(45)31(54-35)33(48)51-8)55-34-30(47)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)/t22-,23-,24-,25+,26-,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey FUUKVKKUBFPWND-ABSCMUQPSA-N
Mol Weight 779.0 g/mol
Molecular Formula C42H66O13
Exact Mass 778.450343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5glikKiaq1v
Name BIFINOSIDE-A;OLEANOLIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE-6-O-METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O13
InChI InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-32(29(46)28(45)31(54-35)33(48)51-8)55-34-30(47)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)/t22-,23-,24-,25+,26-,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey FUUKVKKUBFPWND-ABSCMUQPSA-N
Literature Reference Author N.H.TUNG,T.H.QUANG,N.T.T.NGAN,C.V.MINH,B.K.ANH,P.Q.LONG,N.M. CUONG,Y.H.KIM
Literature Reference Citation CHEM.PHARM.BULL.,59,1417(2011)
Literature Reference DOI 10.1248/cpb.59.1417
Molecular Weight 778.978 g/mol
Source File Reference UWIR3723
SpectraBase Batch ID C6tknu9O8Dq