Spektraris NMR
Inumakiol H
Common Name: Inumakiol H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12(2)18-13-5-8-16-19(3,14(13)6-7-15(18)22)10-9-17(23)20(16,4)11-21/h6-7,12,16-17,21-23H,5,8-11H2,1-4H3/t16-,17+,19-,20-/m1/s1
InChIKey: InChIKey=KCPIGBWFJTZVNL-PIKOESSRSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sato, K., Sugawara, K., Takeuchi, H., Park, H.S., Akiyama, T., Koyama, T., Aoyagi, Y., Takeya, K., Tsugane, T., Shimura, S. Chem Pharm Bull (2008) 56, 1691-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Totaranes; 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) | 38.3 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 80 |
| 4 (C) | 43.1 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 30 |
| 8 (C) | 133 |
| 9 (C) | 141.3 |
| 10 (C) | 37.7 |
| 11 (CH) | 123 |
| 12 (CH) | 115.2 |
| 13 (C) | 155.1 |
| 14 (C) | 131.2 |
| 15 (CH) | 28.1 |
| 16 (CH3) | 20.7 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 26.5 |
