Spektraris NMR
Boletinin I
Common Name: Boletinin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-19(9-6-10-20(2)12-8-14-22(4)18-26)11-7-13-21(3)15-16-30-25(29)23(5)17-24(27)28/h10-11,14-15,17-18H,6-9,12-13,16H2,1-5H3,(H,27,28)/b19-11+,20-10+,21-15+,22-14+,23-17+
InChIKey: InChIKey=AOJDLUWCHJXNCH-SDWHTVMGSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
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) | 62.6 |
| 2 (CH) | 117.8 |
| 3 (C) | 143.1 |
| 4 (CH2) | 39.5 |
| 5 (CH2) | 26.2 |
| 6 (CH) | 123.7 |
| 7 (C) | 135.4 |
| 8 (CH2) | 39.6 |
| 9 (CH2) | 26.6 |
| 10 (CH) | 125.6 |
| 11 (C) | 133.4 |
| 12 (CH2) | 38 |
| 13 (CH2) | 27.5 |
| 14 (CH) | 154.6 |
| 15 (C) | 139.4 |
| 16 (CH) | 195.4 |
| 17 (CH3) | 9.2 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16 |
| 20 (CH3) | 16.6 |
| 1a (C) | 166.9 |
| 1b (C) | 146.3 |
| 1c (CH) | 125.6 |
| 1d (C) | 169.9 |
| 1ba (CH3) | 14.6 |
