| SpectraBase Compound ID | LlWrFvg6I1d |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3/t18-,19-,21?,22?,23-,24-,25?,27?,28?,29-,30+,31-/m1/s1 |
| InChIKey | PTVQHIGQUFDPIQ-TUOYYAOZSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JAfzHyV4dc |
|---|---|
| Name | Methyl-2.alpha.,23-dihydroxy-ursolate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-18-10-13-31(26(35)36-7)15-14-29(5)20(24(31)19(18)2)8-9-23-27(3)16-21(33)25(34)28(4,17-32)22(27)11-12-30(23,29)6/h8,18-19,21-25,32-34H,9-17H2,1-7H3/t18-,19-,21?,22?,23-,24-,25?,27?,28?,29-,30+,31-/m1/s1 |
| InChIKey | PTVQHIGQUFDPIQ-TUOYYAOZSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 25, 729 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |