Spektraris NMR
isocoronarin D
Common Name: isocoronarin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-9-17-19(2,3)10-5-11-20(17,4)15(13)8-7-14-16(21)12-23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7+/t15-,16-,17-,20+/m0/s1
InChIKey: InChIKey=WCYYIFXENZTEHA-HBSPNOSKSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakatani, N., Kikuzaki, H., Yamaji, H., Yoshio, K., Kitora, C., Okada, K., Padolina, W.G. Phytochemistry (1994) 37, 1383-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.3 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 24.1 |
| 7 (CH2) | 38 |
| 8 (C) | 147.8 |
| 9 (CH) | 56.4 |
| 10 (C) | 39.5 |
| 11 (CH2) | 24.7 |
| 12 (CH) | 149.8 |
| 13 (C) | 127.7 |
| 14 (CH) | 66.1 |
| 15 (CH2) | 74.4 |
| 16 (C) | 170.2 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.3 |
