| 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 | 778.450342 g/mol |
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 © 2016-2024 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 |