| SpectraBase Compound ID | EJqInWVyvUc |
|---|---|
| InChI | InChI=1S/C34H40O9/c1-8-18(2)29(38)42-28-20(4)15-32-21(5)16-33(43-22(6)35)25(24(27(32)37)14-19(3)26(36)34(28,32)40)31(33,7)17-41-30(39)23-12-10-9-11-13-23/h8-15,21,24-26,28,36,40H,16-17H2,1-7H3/b18-8+/t21-,24+,25-,26-,28+,31+,32+,33+,34+/m1/s1 |
| InChIKey | CZSCLLXJWRBYHJ-VLBUGCTGSA-N |
| Mol Weight | 592.7 g/mol |
| Molecular Formula | C34H40O9 |
| Exact Mass | 592.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARLCbXmaIRL |
|---|---|
| Name | 13-ALPHA-ACETOXY-3-O-ANGELOYL-17-BENZOYLOXYINGENOL |
| Compound Number | 30 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H40O9 |
| InChI | InChI=1S/C34H40O9/c1-8-18(2)29(38)42-28-20(4)15-32-21(5)16-33(43-22(6)35)25(24(27(32)37)14-19(3)26(36)34(28,32)40)31(33,7)17-41-30(39)23-12-10-9-11-13-23/h8-15,21,24-26,28,36,40H,16-17H2,1-7H3/b18-8+/t21-,24+,25-,26-,28+,31+,32+,33+,34+/m1/s1 |
| InChIKey | CZSCLLXJWRBYHJ-VLBUGCTGSA-N |
| Literature Reference Author | J.JAKUPOVIC,F.JESKE,T.MORGENSTERN,F.TSICHRITZIS,J.A.MARCO,W. BERENDSOHN |
| Literature Reference Citation | PHYTOCHEM.,47,1583(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00830-3 |
| Molecular Weight | 592.686 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS840 |