| SpectraBase Compound ID | Evrsu31cLe7 |
|---|---|
| InChI | InChI=1S/C35H58O9/c1-29(2)22(43-28-25(40)24(39)20(38)16-42-28)9-11-35-17-34(35)13-12-31(5)27(33(7)10-8-23(44-33)30(3,4)41)19(37)15-32(31,6)21(34)14-18(36)26(29)35/h18-28,36-41H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24-,25+,26-,27-,28-,31+,32-,33+,34-,35+/m0/s1 |
| InChIKey | VXHVFDQYSSFKAR-MVRGBOKSSA-N |
| Mol Weight | 622.8 g/mol |
| Molecular Formula | C35H58O9 |
| Exact Mass | 622.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mTtrYxD7LU |
|---|---|
| Name | 3-O-BETA-D-XYLOPYRANOSYL-CYCLOASTRAGENOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H58O9 |
| InChI | InChI=1S/C35H58O9/c1-29(2)22(43-28-25(40)24(39)20(38)16-42-28)9-11-35-17-34(35)13-12-31(5)27(33(7)10-8-23(44-33)30(3,4)41)19(37)15-32(31,6)21(34)14-18(36)26(29)35/h18-28,36-41H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24-,25+,26-,27-,28-,31+,32-,33+,34-,35+/m0/s1 |
| InChIKey | VXHVFDQYSSFKAR-MVRGBOKSSA-N |
| Literature Reference Author | M.HIROTANI,Y.ZHOU,H.RUI,T.FURUYA |
| Literature Reference Citation | PHYTOCHEM.,37,1403(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90420-5 |
| Molecular Weight | 622.840 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23590 |