| SpectraBase Compound ID | 4uWq88yLRSs |
|---|---|
| InChI | InChI=1S/C30H40O7/c1-9-15(3)26(33)36-14-28(8)21-12-19(7)29-13-18(6)25(37-27(34)16(4)10-2)30(29,35)23(31)17(5)11-20(22(21)28)24(29)32/h9-11,13,19-23,25,31,35H,12,14H2,1-8H3/b15-9+,16-10+/t19-,20+,21-,22+,23-,25+,28-,29+,30+/m1/s1 |
| InChIKey | IMQVWZKEFSFWCH-SDWIFPPUSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C30H40O7 |
| Exact Mass | 512.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1D3yLjydfZx |
|---|---|
| Name | 3-O-ANGELOYL-17-ANGELOYLOXY-20-DEOXYINGENOL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40O7 |
| InChI | InChI=1S/C30H40O7/c1-9-15(3)26(33)36-14-28(8)21-12-19(7)29-13-18(6)25(37-27(34)16(4)10-2)30(29,35)23(31)17(5)11-20(22(21)28)24(29)32/h9-11,13,19-23,25,31,35H,12,14H2,1-8H3/b15-9+,16-10+/t19-,20+,21-,22+,23-,25+,28-,29+,30+/m1/s1 |
| InChIKey | IMQVWZKEFSFWCH-SDWIFPPUSA-N |
| Literature Reference Author | J.JAKUPOVIC,T.MORGENSTERN,J.A.MARCO,W.BERENDSOHN |
| Literature Reference Citation | PHYTOCHEM.,47,1611(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00832-7 |
| Molecular Weight | 512.643 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS856 |