| SpectraBase Compound ID | 7Y1tRxYRhYg |
|---|---|
| InChI | InChI=1S/C35H54O7/c1-20-12-15-35(30(39)40-9)17-16-33(7)24(28(35)21(20)2)10-11-26-31(5)14-13-27(42-23(4)37)32(6,19-41-22(3)36)29(31)25(38)18-34(26,33)8/h10,20-21,25-29,38H,11-19H2,1-9H3/t20-,21-,25?,26-,27?,28-,29?,31?,32?,33-,34+,35-/m1/s1 |
| InChIKey | AFJKXSOCHZYBTL-CXFSBLCHSA-N |
| Mol Weight | 586.8 g/mol |
| Molecular Formula | C35H54O7 |
| Exact Mass | 586.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5523h62F4lp |
|---|---|
| Name | Methyl-2,23-diacetoxy-6-hydroxy-urs-12-en-28-oate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H54O7 |
| InChI | InChI=1S/C35H54O7/c1-20-12-15-35(30(39)40-9)17-16-33(7)24(28(35)21(20)2)10-11-26-31(5)14-13-27(42-23(4)37)32(6,19-41-22(3)36)29(31)25(38)18-34(26,33)8/h10,20-21,25-29,38H,11-19H2,1-9H3/t20-,21-,25?,26-,27?,28-,29?,31?,32?,33-,34+,35-/m1/s1 |
| InChIKey | AFJKXSOCHZYBTL-CXFSBLCHSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Phytochem. 23, 627 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |