| SpectraBase Compound ID | CbgVULGHO2h |
|---|---|
| InChI | InChI=1S/C38H62O11/c1-19(40)46-28-26(43)22(17-39)47-31(27(28)44)48-24-10-12-38-18-37(38)14-13-34(6)30(36(8)11-9-25(49-36)33(4,5)45)21(42)16-35(34,7)23(37)15-20(41)29(38)32(24,2)3/h20-31,39,41-45H,9-18H2,1-8H3/t20-,21-,22+,23?,24-,25-,26+,27+,28-,29?,30-,31-,34+,35-,36+,37-,38+/m0/s1 |
| InChIKey | NIPOOHDDUAPIFF-UYDKYUMYSA-N |
| Mol Weight | 694.9 g/mol |
| Molecular Formula | C38H62O11 |
| Exact Mass | 694.429213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Vnqon5UaKb |
|---|---|
| Name | ASTRAVERRUCIN-III;3-O-BETA-D-(3'-O-ACETYL)-GLUCOPYRANOSYL-CYClOASTRAGENOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O11 |
| InChI | InChI=1S/C38H62O11/c1-19(40)46-28-26(43)22(17-39)47-31(27(28)44)48-24-10-12-38-18-37(38)14-13-34(6)30(36(8)11-9-25(49-36)33(4,5)45)21(42)16-35(34,7)23(37)15-20(41)29(38)32(24,2)3/h20-31,39,41-45H,9-18H2,1-8H3/t20-,21-,22+,23?,24-,25-,26+,27+,28-,29?,30-,31-,34+,35-,36+,37-,38+/m0/s1 |
| InChIKey | NIPOOHDDUAPIFF-UYDKYUMYSA-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 | 694.904 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1476 |