Spektraris NMR
Boletinin B
Common Name: Boletinin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-16(7-5-9-18(3)15-22)8-6-10-19(4)20(23)12-11-17(2)13-14-21/h8-9,13,20-23H,4-7,10-12,14-15H2,1-3H3/b16-8+,17-13+,18-9+
InChIKey: InChIKey=QBSXZZOSIOENJV-RVIGLEPGSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamo, T., Sato, K., Sen, K., Shibata, H., Hirota, M. J Nat Prod (2004) 67, 958-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 59.4 |
| 2 (CH) | 123.7 |
| 3 (C) | 139.4 |
| 4 (CH2) | 35.6 |
| 5 (CH2) | 33.4 |
| 6 (CH) | 75.1 |
| 7 (C) | 151.4 |
| 8 (CH2) | 31.3 |
| 9 (CH2) | 26.5 |
| 10 (CH) | 124.3 |
| 11 (C) | 135 |
| 12 (CH2) | 39.2 |
| 13 (CH2) | 25.8 |
| 14 (CH) | 125.7 |
| 15 (C) | 135.2 |
| 16 (CH2) | 68.9 |
| 17 (CH3) | 13.7 |
| 18 (CH3) | 16 |
| 19 (CH2) | 110.1 |
| 20 (CH3) | 16.3 |
