| SpectraBase Compound ID | DsLKuJJ3OjL |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-17(2)18-9-11-27(5)13-14-28(6)19(24(18)27)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h18-21,23-25,31,33H,1,9-16H2,2-8H3/t18?,19-,20-,21?,23?,24+,25-,27-,28+,29+,30?/m0/s1 |
| InChIKey | PLLILOVVTMRYNY-NUQCQYTMSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ntet1QDY5P |
|---|---|
| Name | 1.beta.,11.alpha.-Dihydroxy-lup-20(29)-ene-3-one |
| CAS Registry Number | 113146-75-1 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-17(2)18-9-11-27(5)13-14-28(6)19(24(18)27)15-20(31)25-29(28,7)12-10-21-26(3,4)22(32)16-23(33)30(21,25)8/h18-21,23-25,31,33H,1,9-16H2,2-8H3/t18?,19-,20-,21?,23?,24+,25-,27-,28+,29+,30?/m0/s1 |
| InChIKey | PLLILOVVTMRYNY-NUQCQYTMSA-N |
| Instrument Name | SF = 300 MHz |
| Literature Reference | Phytochem. 26, 3305 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |