| SpectraBase Compound ID | GnnkBHUy9zG |
|---|---|
| InChI | InChI=1S/C35H52O11/c1-16-15-42-34(4)35(16,41)29-28(46-34)24(30(40)45-29)22-8-7-20-19-6-5-17-13-18(9-11-32(17,2)21(19)10-12-33(20,22)3)43-31-27(39)26(38)25(37)23(14-36)44-31/h7,16-18,22-31,36-41H,5-6,8-15H2,1-4H3/t16-,17-,18-,22+,23+,24?,25+,26-,27+,28?,29?,30?,31+,32-,33-,34+,35?/m0/s1 |
| InChIKey | OTWGKGBPRIEZGL-YMHWUEDHSA-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 | Jtre6kefmUv |
|---|---|
| Name | VERNIONIOSIDE-D1;3-BETA,24-BETA-DIHYDROXY-21,23:22,28:26,28-TRIEPOXY-5-ALPHA-STIGMASTA-8(9),14(15)-DIEN-3-O-BETA-D-GLUCOPYRANOSIDE |
| 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/c1-16-15-42-34(4)35(16,41)29-28(46-34)24(30(40)45-29)22-8-7-20-19-6-5-17-13-18(9-11-32(17,2)21(19)10-12-33(20,22)3)43-31-27(39)26(38)25(37)23(14-36)44-31/h7,16-18,22-31,36-41H,5-6,8-15H2,1-4H3/t16-,17-,18-,22+,23+,24?,25+,26-,27+,28?,29?,30?,31+,32-,33-,34+,35?/m0/s1 |
| InChIKey | OTWGKGBPRIEZGL-YMHWUEDHSA-N |
| Literature Reference Author | R.SANOGO,M.P.GERMANO,N.D.TOMMASI,C.PIZZA,R.AQUINO |
| Literature Reference Citation | PHYTOCHEM.,47,73(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00477-9 |
| Molecular Weight | 648.791 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4840 |