| SpectraBase Compound ID | ENXouJ68tO7 |
|---|---|
| InChI | InChI=1S/C40H60O15/c1-17-15-50-39(4)40(17,48)33-31(55-39)26(34(47)54-33)23-8-7-21-20-6-5-18-13-19(9-11-37(18,2)22(20)10-12-38(21,23)3)51-36-30(46)32(28(44)25(14-41)52-36)53-35-29(45)27(43)24(42)16-49-35/h7,17-19,23-36,41-48H,5-6,8-16H2,1-4H3/t17-,18-,19-,23+,24+,25+,26?,27-,28+,29+,30+,31?,32-,33?,34?,35-,36+,37-,38-,39+,40?/m0/s1 |
| InChIKey | BVUAYJHDBNOGTD-RIJPUKCISA-N |
| Mol Weight | 780.9 g/mol |
| Molecular Formula | C40H60O15 |
| Exact Mass | 780.393221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73XTiyccxU7 |
|---|---|
| Name | VERNIONIOSIDE-D2;3-BETA,24-BETA-DIHYDROXY-21,23:22,28:26,28-TRIEPOXY-5-ALPHA-STIGMASTA-8(9),14(15)-DIEN-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUC |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60O15 |
| InChI | InChI=1S/C40H60O15/c1-17-15-50-39(4)40(17,48)33-31(55-39)26(34(47)54-33)23-8-7-21-20-6-5-18-13-19(9-11-37(18,2)22(20)10-12-38(21,23)3)51-36-30(46)32(28(44)25(14-41)52-36)53-35-29(45)27(43)24(42)16-49-35/h7,17-19,23-36,41-48H,5-6,8-16H2,1-4H3/t17-,18-,19-,23+,24+,25+,26?,27-,28+,29+,30+,31?,32-,33?,34?,35-,36+,37-,38-,39+,40?/m0/s1 |
| InChIKey | BVUAYJHDBNOGTD-RIJPUKCISA-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 | 780.907 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4841 |