| SpectraBase Compound ID | DwU5JhkVCjX |
|---|---|
| InChI | InChI=1S/C36H60O10/c1-30(2)22(45-29-26(42)25(41)24(40)20(16-37)44-29)9-11-36-17-35(36)13-12-32(5)28(34(7)10-8-23(46-34)31(3,4)43)19(39)15-33(32,6)21(35)14-18(38)27(30)36/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21?,22-,23-,24+,25-,26+,27?,28-,29-,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | MDPXIRWVLJUABC-AFUVKKGPSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C36H60O10 |
| Exact Mass | 652.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuEQskCaImv |
|---|---|
| Name | ASTRAVERRUCIN-I;3-O-BETA-D-GLUCOPYRANOSYL-CYClOASTRAGENOL;20(R),24(S)-EPOXY-9-BETA,19-CYClOLANOSTAN-3-BETA,6-ALPHA,16-BETA,25-TETROL-3-O-BETA-D-GLU |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60O10 |
| InChI | InChI=1S/C36H60O10/c1-30(2)22(45-29-26(42)25(41)24(40)20(16-37)44-29)9-11-36-17-35(36)13-12-32(5)28(34(7)10-8-23(46-34)31(3,4)43)19(39)15-33(32,6)21(35)14-18(38)27(30)36/h18-29,37-43H,8-17H2,1-7H3/t18-,19-,20+,21?,22-,23-,24+,25-,26+,27?,28-,29-,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | MDPXIRWVLJUABC-AFUVKKGPSA-N |
| Literature Reference Author | L.PISTELLI,S.PARDOSSI,G.FLAMINI,A.BERTOLI,A.MANUNTA |
| Literature Reference Citation | PHYTOCHEM.,45,585(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00862-X |
| Molecular Weight | 652.866 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1474 |