Spektraris NMR
Villosin
Common Name: Villosin
Synonyms: Villosin
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-14-6-9-17-19(2,3)11-5-12-20(17,4)16(14)8-7-15-10-13-22-18(15)21/h7-8,10,16-17H,1,5-6,9,11-13H2,2-4H3/b8-7+/t16-,17-,20+/m0/s1
InChIKey: InChIKey=HVTQZHAAIRBKHO-YSLAMIOMSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
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) | 40.9 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.6 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 36.8 |
| 8 (C) | 149.4 |
| 9 (CH) | 62.2 |
| 10 (C) | 39.3 |
| 11 (CH) | 136.9 |
| 12 (CH) | 120.7 |
| 13 (C) | 129.6 |
| 14 (CH) | 142.3 |
| 15 (CH2) | 69.6 |
| 16 (C) | 172.3 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22 |
| 20 (CH3) | 15.1 |
