Spektraris NMR
Inumakiol C
Common Name: Inumakiol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-11(2)17-13-5-8-16-19(3,14(13)6-7-15(17)22)9-12(21)10-20(16,4)18(23)24/h6-7,11,16,22H,5,8-10H2,1-4H3,(H,23,24)/t16-,19-,20+/m1/s1
InChIKey: InChIKey=FIIHHPSSDWHEQS-AHRSYUTCSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
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) | 56.5 |
| 2 (C) | 207.9 |
| 3 (CH2) | 51.8 |
| 4 (C) | 47.4 |
| 5 (CH) | 51.1 |
| 6 (CH2) | 22 |
| 7 (CH2) | 30.2 |
| 8 (C) | 134.3 |
| 9 (C) | 138.1 |
| 10 (C) | 42.4 |
| 11 (CH) | 124.4 |
| 12 (CH) | 115.6 |
| 13 (C) | 155.4 |
| 14 (C) | 131.7 |
| 15 (CH) | 28.3 |
| 16 (CH3) | 20.8 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 28.4 |
| 19 (C) | 179.1 |
| 20 (CH3) | 25.2 |
