Spektraris NMR
Inumakiol B
Common Name: Inumakiol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)13-8-15-14(9-16(13)22)17(23)10-18-19(3,11-21)6-5-7-20(15,18)4/h8-9,12,18,21-22H,5-7,10-11H2,1-4H3/t18-,19+,20+/m0/s1
InChIKey: InChIKey=YEIDDNMJKQNSFM-XUVXKRRUSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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 : Semperviranes; 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) | 38.6 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 36.1 |
| 4 (C) | 38.7 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 36.8 |
| 7 (C) | 198.6 |
| 8 (C) | 130.1 |
| 9 (C) | 148.3 |
| 10 (C) | 38.2 |
| 11 (CH) | 122.3 |
| 12 (C) | 142.8 |
| 13 (C) | 154.3 |
| 14 (CH) | 112.4 |
| 15 (CH) | 28.5 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 27.3 |
| 19 (CH2) | 64.3 |
| 20 (CH3) | 24.3 |
