| SpectraBase Compound ID | 3Q0KKxGEanq |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-26(2)15-16-28(5)17-18-31(25(33)34-8)20(21(28)19-26)9-10-23-29(6)13-12-24(32)27(3,4)22(29)11-14-30(23,31)7/h9,21-23H,10-19H2,1-8H3/t21-,22?,23+,28-,29?,30+,31-/m1/s1 |
| InChIKey | MDCPDQRDOHYZNF-RCFOJDTDSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DXIpRJXbdE |
|---|---|
| Name | Methyl-3-oxoolean-12-en-27-oate |
| CAS Registry Number | 25671-04-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-26(2)15-16-28(5)17-18-31(25(33)34-8)20(21(28)19-26)9-10-23-29(6)13-12-24(32)27(3,4)22(29)11-14-30(23,31)7/h9,21-23H,10-19H2,1-8H3/t21-,22?,23+,28-,29?,30+,31-/m1/s1 |
| InChIKey | MDCPDQRDOHYZNF-RCFOJDTDSA-N |
| Literature Reference | J. Org. Chem. 48, 3525 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |