![3-O-[BETA-D-2-O-SULPHONYLGLUCOPYRANOSYL]-QUINOVIC-ACID-27-O-METHYL-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/1Mc9d9QM1W0/structure.png?h=300&w=458 "3-O-[BETA-D-2-O-SULPHONYLGLUCOPYRANOSYL]-QUINOVIC-ACID-27-O-METHYL-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 2ngYJpDrsjs |
|---|---|
| InChI | InChI=1S/C43H68O18S/c1-20-10-15-42(37(51)60-35-33(50)31(48)29(46)23(18-44)57-35)16-17-43(38(52)56-7)22(28(42)21(20)2)8-9-26-40(5)13-12-27(39(3,4)25(40)11-14-41(26,43)6)59-36-34(61-62(53,54)55)32(49)30(47)24(19-45)58-36/h8,20-21,23-36,44-50H,9-19H2,1-7H3,(H,53,54,55)/t20-,21+,23+,24-,25+,26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,40+,41-,42+,43-/m1/s1 |
| InChIKey | PTLDSBFRONVBJI-GPSYJNMASA-N |
| Mol Weight | 905.1 g/mol |
| Molecular Formula | C43H68O18S |
| Exact Mass | 904.412637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1Mc9d9QM1W0 |
|---|---|
| Name | 3-O-[BETA-D-2-O-SULPHONYLGLUCOPYRANOSYL]-QUINOVIC-ACID-27-O-METHYL-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O18S |
| InChI | InChI=1S/C43H68O18S/c1-20-10-15-42(37(51)60-35-33(50)31(48)29(46)23(18-44)57-35)16-17-43(38(52)56-7)22(28(42)21(20)2)8-9-26-40(5)13-12-27(39(3,4)25(40)11-14-41(26,43)6)59-36-34(61-62(53,54)55)32(49)30(47)24(19-45)58-36/h8,20-21,23-36,44-50H,9-19H2,1-7H3,(H,53,54,55)/t20-,21+,23+,24-,25+,26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,40+,41-,42+,43-/m1/s1 |
| InChIKey | PTLDSBFRONVBJI-GPSYJNMASA-N |
| Literature Reference Author | K.POELLMANN,S.GAGEL,M.H.A.ELGAMAL,K.H.SHAKER,K.SEIFERT |
| Literature Reference Citation | PHYTOCHEM.,44,485(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00552-3 |
| Molecular Weight | 905.062 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA138 |