| SpectraBase Compound ID | 5Mrp4lypGwD |
|---|---|
| InChI | InChI=1S/C35H54O6/c1-20-13-16-35(30(38)39-10)18-17-33(8)24(28(35)21(20)2)11-12-27-32(7)19-25(40-22(3)36)29(41-23(4)37)31(5,6)26(32)14-15-34(27,33)9/h11,20-21,25-29H,12-19H2,1-10H3/t20-,21-,25?,26?,27-,28-,29?,32?,33-,34+,35-/m1/s1 |
| InChIKey | OFENEEUMCBVFDF-LIHAYNLJSA-N |
| Mol Weight | 570.8 g/mol |
| Molecular Formula | C35H54O6 |
| Exact Mass | 570.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ofJMwrBVyG |
|---|---|
| Name | Methyl-2.alpha.,3.alpha.-diacetoxy-urs-12-ene-28-oate |
| CAS Registry Number | 63478-77-3 |
| Comments | APT, DEPT, INE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H54O6 |
| InChI | InChI=1S/C35H54O6/c1-20-13-16-35(30(38)39-10)18-17-33(8)24(28(35)21(20)2)11-12-27-32(7)19-25(40-22(3)36)29(41-23(4)37)31(5,6)26(32)14-15-34(27,33)9/h11,20-21,25-29H,12-19H2,1-10H3/t20-,21-,25?,26?,27-,28-,29?,32?,33-,34+,35-/m1/s1 |
| InChIKey | OFENEEUMCBVFDF-LIHAYNLJSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Phytochem. 26, 1107 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |