Spektraris NMR
Viteagnusin B
Common Name: Viteagnusin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-8-21(6,24)13-14-22(7)15(2)9-10-17-18(22)11-12-19(20(17,4)5)25-16(3)23/h8,15,19,24H,1,9-14H2,2-7H3/t15-,19+,21?,22-/m1/s1
InChIKey: InChIKey=JQAPJHXIUGDNIU-IESQJMSVSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Yamasaki, T., Konoshita, M., Ikeda, T., Okawa, M., Kinjo, J., Yoshimitsu, H., Nohara, T. Chem Pharm Bull (2008) 56, 1621-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 23.3 |
| 2 (CH2) | 24.1 |
| 3 (CH) | 78.4 |
| 4 (C) | 38.5 |
| 5 (C) | 134.5 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 38.4 |
| 9 (C) | 39.7 |
| 10 (C) | 132 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 38.8 |
| 13 (C) | 73.4 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.9 |
| 16 (CH3) | 27.7 |
| 17 (CH3) | 16.5 |
| 18 (CH3) | 25.2 |
| 19 (CH3) | 22 |
| 20 (CH3) | 27.3 |
| 3a (C) | 171 |
| 3b (CH3) | 21.4 |
