| SpectraBase Compound ID | 984AkqE3icL |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-17(2)18-8-13-30(25(33)34)15-14-28(6)19(23(18)30)16-20(31)24-27(5)11-10-22(32)26(3,4)21(27)9-12-29(24,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18?,19-,20-,21?,22?,23+,24+,27?,28+,29+,30+/m0/s1 |
| InChIKey | CQYNGKPLHGNVHC-MNLNKGGLSA-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 | 7HgCt0Z859G |
|---|---|
| Name | 3.alpha.,11.alpha.-Dihydroxy-lup-20(29)-en-28-oic-acid |
| CAS Registry Number | 95262-54-7 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-17(2)18-8-13-30(25(33)34)15-14-28(6)19(23(18)30)16-20(31)24-27(5)11-10-22(32)26(3,4)21(27)9-12-29(24,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18?,19-,20-,21?,22?,23+,24+,27?,28+,29+,30+/m0/s1 |
| InChIKey | CQYNGKPLHGNVHC-MNLNKGGLSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Phytochem. 23, 2889 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |