| SpectraBase Compound ID | 6YEUxgg486y |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22?,23?,26?,27?,28+,29?,30-/m1/s1 |
| InChIKey | PGOYMURMZNDHNS-IQFJSRJESA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IR6f5Zc6VM |
|---|---|
| Name | Hederagenin |
| CAS Registry Number | 13425-20-2 |
| Comments | BRUKER AC 300 OR VARIAN XL-300 SPECTROMETER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21?,22?,23?,26?,27?,28+,29?,30-/m1/s1 |
| InChIKey | PGOYMURMZNDHNS-IQFJSRJESA-N |
| Instrument Name | see comment |
| Literature Reference | G. Massiot, C. Lavaud, L. Le Men-Olivier, J. Chem. Soc. Perkin I 3071 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |