Spektraris NMR
Yuexiandajisu A
Common Name: Yuexiandajisu A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-5-7-14(2)9-11-18(21)15(19(22)23)12-17-16(10-8-13)20(17,3)4/h6,9,12,16-18,21H,5,7-8,10-11H2,1-4H3,(H,22,23)/b13-6-,14-9-,15-12-/t16-,17-,18+/m0/s1
InChIKey: InChIKey=KKLGUSXHEBWCLC-VFXOBNLASA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, Z.H., Sun, J., Xu, R.S., Qin, G.W. Phytochemistry (1998) 49, 149-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Casbanes; 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 (CH) | 37.3 |
| 2 (CH) | 31.9 |
| 3 (CH) | 153.5 |
| 4 (C) | 127 |
| 5 (CH) | 78 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 120.6 |
| 8 (C) | 136 |
| 9 (CH2) | 38.6 |
| 10 (CH2) | 39.1 |
| 11 (CH) | 125.5 |
| 12 (C) | 132.9 |
| 13 (CH2) | 24.1 |
| 14 (CH2) | 24.1 |
| 15 (C) | 27.9 |
| 16 (CH3) | 22 |
| 17 (CH3) | 22.9 |
| 18 (C) | 171.8 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 14.8 |
