Spektraris NMR
2β,16α,20R,22S-Tetrahydroxy-10α,17α-cucurbit-5,24-dien-3,11-dione
Common Name: 2β,16α,20R,22S-Tetrahydroxy-10α,17α-cucurbit-5,24-dien-3,11-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-16(2)9-12-22(33)30(8,36)24-20(32)14-27(5)21-11-10-17-18(13-19(31)25(35)26(17,3)4)29(21,7)23(34)15-28(24,27)6/h9-10,18-22,24,31-33,36H,11-15H2,1-8H3/t18-,19+,20-,21+,22+,24+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=YKXDLUFEGOXEEU-KTXSOBQGSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lang, K.L., da Rosa Guimaraes, T., Rocha Machado, V., Zimmermann, L.A., Silva, I.T., Teixeira, M.R., Duran, F.J., Palermo, J.A., Simoes, C.M., Caro, M.S., Schenkel, E.P. Planta Med (2011) 77, 1648-51
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 36 |
| 2 (CH) | 71.6 |
| 3 (C) | 213.1 |
| 4 (C) | 50.2 |
| 5 (C) | 140.4 |
| 6 (CH) | 120.4 |
| 7 (CH2) | 23.9 |
| 8 (CH) | 42.4 |
| 9 (C) | 48.3 |
| 10 (CH) | 33.7 |
| 11 (C) | 212.7 |
| 12 (CH2) | 48.8 |
| 13 (C) | 47.8 |
| 14 (C) | 51.3 |
| 15 (CH2) | 44.6 |
| 16 (CH) | 71.4 |
| 17 (CH) | 55.2 |
| 18 (CH3) | 19.7 |
| 19 (CH3) | 19.9 |
| 20 (C) | 75.7 |
| 21 (CH3) | 24.9 |
| 22 (CH) | 82.3 |
| 23 (CH2) | 30.7 |
| 24 (CH) | 120.6 |
| 25 (C) | 135.1 |
| 26 (CH3) | 18 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 29.4 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 18.7 |
