| SpectraBase Compound ID | IB1bmprH5Fx |
|---|---|
| InChI | InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23?,24?,25?,26-,29?,31+,32-,33-,34+,35-/m1/s1 |
| InChIKey | RSTYWOGTSWZRCI-SLSYTUAJSA-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 | DiGRgiGgKX0 |
|---|---|
| Name | 12-O-ACETYL-3-ALPHA,12-BETA,17-ALPHA,20(S),24(R)-PENTAHYDROXY-DAMMAR-25-EN-3-YL_HYDROGEN_PROPANEDIONATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O9 |
| InChI | InChI=1S/C35H56O9/c1-20(2)22(37)10-15-34(9,41)35(42)17-16-33(8)29(35)23(43-21(3)36)18-25-31(6)13-12-26(44-28(40)19-27(38)39)30(4,5)24(31)11-14-32(25,33)7/h22-26,29,37,41-42H,1,10-19H2,2-9H3,(H,38,39)/t22-,23?,24?,25?,26-,29?,31+,32-,33-,34+,35-/m1/s1 |
| InChIKey | RSTYWOGTSWZRCI-SLSYTUAJSA-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 | UIAP967 |