| SpectraBase Compound ID | 3QebTylBDAx |
|---|---|
| InChI | InChI=1S/C35H52O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-32,36,38-42H,6-12,14H2,1-5H3/t17-,18-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35?/m0/s1 |
| InChIKey | IUAADJZSNKQVBP-DBPHMBIESA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C35H52O11 |
| Exact Mass | 648.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rGGdmRV0Zv |
|---|---|
| Name | VERNOGUINOSIDE;16-BETA,22R;21,23S-DIEPOXY-3-BETA-O-BETA-D-GLUCOPYRANOSYLOXY-21S,24-DIHYDROXY-5-ALPHA-STIGMASTA-8,14-DIEN-28-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O11 |
| InChI | InChI=1S/C35H52O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-32,36,38-42H,6-12,14H2,1-5H3/t17-,18-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35?/m0/s1 |
| InChIKey | IUAADJZSNKQVBP-DBPHMBIESA-N |
| Literature Reference Author | A.T.TCHINDA,P.TANE,J.F.AYAFOR,J.D.CONOLLY |
| Literature Reference Citation | PHYTOCHEM.,63,841(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00326-1 |
| Molecular Weight | 648.791 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN27128 |