| SpectraBase Compound ID | 9UGAR2qq0D9 |
|---|---|
| InChI | InChI=1S/C41H62O16/c1-17-16-51-40(4)41(17,50)34-32(57-40)26(35(49)56-34)23-8-7-21-20-6-5-18-13-19(9-11-38(18,2)22(20)10-12-39(21,23)3)52-37-33(30(47)28(45)25(15-43)54-37)55-36-31(48)29(46)27(44)24(14-42)53-36/h7,17-19,23-37,42-50H,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+,41?/m0/s1 |
| InChIKey | XXHCZXMNBAXGQV-DYZXXKSESA-N |
| Mol Weight | 810.9 g/mol |
| Molecular Formula | C41H62O16 |
| Exact Mass | 810.403786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKBCLUo7uLC |
|---|---|
| Name | VERNIONIOSIDE-D3;3-BETA,24-BETA-DIHYDROXY-21,23:22,28:26,28-TRIEPOXY-5-ALPHA-STIGMASTA-8(9),14(15)-DIEN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLU |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H62O16 |
| InChI | InChI=1S/C41H62O16/c1-17-16-51-40(4)41(17,50)34-32(57-40)26(35(49)56-34)23-8-7-21-20-6-5-18-13-19(9-11-38(18,2)22(20)10-12-39(21,23)3)52-37-33(30(47)28(45)25(15-43)54-37)55-36-31(48)29(46)27(44)24(14-42)53-36/h7,17-19,23-37,42-50H,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+,41?/m0/s1 |
| InChIKey | XXHCZXMNBAXGQV-DYZXXKSESA-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 | 810.934 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4842 |