| SpectraBase Compound ID | 3oIcj3inm1w |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-19-25(37)26(38)27(39)28(44-19)45-24-11-12-33(6)22(32(24,4)5)10-13-34(7)23(33)9-8-20-21-18-31(2,3)14-15-35(21,29(40)41)16-17-36(20,34)30(42)43/h8,19,21-28,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t19-,21+,22+,23-,24+,25-,26+,27-,28+,33+,34-,35+,36-/m1/s1 |
| InChIKey | SBEFEKWSETYQKS-JRMVZXCBSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoMV9sSQ8pK |
|---|---|
| Name | 3-O-BETA-D-QUINOVOPYRANOSYL-CINCHOLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-19-25(37)26(38)27(39)28(44-19)45-24-11-12-33(6)22(32(24,4)5)10-13-34(7)23(33)9-8-20-21-18-31(2,3)14-15-35(21,29(40)41)16-17-36(20,34)30(42)43/h8,19,21-28,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t19-,21+,22+,23-,24+,25-,26+,27-,28+,33+,34-,35+,36-/m1/s1 |
| InChIKey | SBEFEKWSETYQKS-JRMVZXCBSA-N |
| Literature Reference Author | L.HAMERSKI,C.A.CARBONEZI,A.J.CAVALHEIRO,V.D.S.BOLZANI,M.C.M. YOUNG |
| Literature Reference Citation | QUIM.NOVA,28,601(2005) |
| Literature Reference DOI | 10.1590/s0100-40422005000400009 |
| Molecular Weight | 632.835 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT12212 |