| SpectraBase Compound ID | GyM3z5h3QVa |
|---|---|
| InChI | InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22?,23?,24?,25-,28?,31+,32-,33-,34+,35-/m1/s1 |
| InChIKey | OITYFEGPXGMPAP-AZRCAGLDSA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C35H56O9 |
| Exact Mass | 620.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LdSpoxsoWZ |
|---|---|
| Name | 12-O-ACETYL-3-ALPHA,12-BETA,17-ALPHA,20(S),25-PENTAHYDROXYDAMMAR-23(E)-EN-3-YL_HYDROGEN_PROPANEDIONATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O9 |
| InChI | InChI=1S/C35H56O9/c1-21(36)43-22-19-24-31(6)15-12-25(44-27(39)20-26(37)38)30(4,5)23(31)11-16-32(24,7)33(8)17-18-35(42,28(22)33)34(9,41)14-10-13-29(2,3)40/h10,13,22-25,28,40-42H,11-12,14-20H2,1-9H3,(H,37,38)/b13-10+/t22?,23?,24?,25-,28?,31+,32-,33-,34+,35-/m1/s1 |
| InChIKey | OITYFEGPXGMPAP-AZRCAGLDSA-N |
| Literature Reference Author | U.HILPISCH,R.HARTMANN,K.-W.GLOMBITZA |
| Literature Reference Citation | PLANTA.MED.,63,347(1997) |
| Literature Reference DOI | 10.1055/s-2006-957698 |
| Molecular Weight | 620.824 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP968 |