Spektraris NMR
Boletinin J
Common Name: Boletinin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O6/c1-18(9-6-10-19(2)13-8-14-21(4)24(28)29)11-7-12-20(3)15-16-31-25(30)22(5)17-23(26)27/h10-11,14-15,17H,6-9,12-13,16H2,1-5H3,(H,26,27)(H,28,29)/b18-11+,19-10+,20-15+,21-14+,22-17+
InChIKey: InChIKey=RGDGFPUBWJTQHJ-HGJUBKMSSA-N
Formula: C25H36O6
Molecular Weight: 432.550694
Exact Mass: 432.251189
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) | 117.9 |
| 3 (C) | 143 |
| 4 (CH2) | 39.5 |
| 5 (CH2) | 26 |
| 6 (CH) | 123.6 |
| 7 (C) | 135.4 |
| 8 (CH2) | 39.6 |
| 9 (CH2) | 26.6 |
| 10 (CH) | 125.2 |
| 11 (C) | 133.7 |
| 12 (CH2) | 38 |
| 13 (CH2) | 27.6 |
| 14 (CH) | 145.2 |
| 15 (C) | 126.9 |
| 16 (C) | 173.3 |
| 17 (CH3) | 12 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 16.5 |
| 1a (C) | 167 |
| 1b (C) | 146.1 |
| 1c (CH) | 125.8 |
| 1d (C) | 170.8 |
| 1ba (CH3) | 14.6 |
