Spektraris NMR
Inumakiol E
Common Name: Inumakiol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-12(2)17-14(22)8-7-13-18(17)15(25-5)11-16-20(13,3)9-6-10-21(16,4)19(23)24/h7-8,12,15-16,22H,6,9-11H2,1-5H3,(H,23,24)/t15-,16-,20-,21+/m1/s1
InChIKey: InChIKey=NZLPMABGNQUXBT-NBJYBMASSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
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) | 40.5 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 38.3 |
| 4 (C) | 43.7 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 75.3 |
| 8 (C) | 134.4 |
| 9 (C) | 140.6 |
| 10 (C) | 39.2 |
| 11 (CH) | 124.3 |
| 12 (CH) | 117.7 |
| 13 (C) | 155.5 |
| 14 (C) | 134 |
| 15 (CH) | 28.9 |
| 16 (CH3) | 21 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 29.1 |
| 19 (C) | 181.7 |
| 20 (CH3) | 22.9 |
| 7a (CH3) | 55.2 |
