Spektraris NMR
Inumakiol D
Common Name: Inumakiol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11(2)16-13(21)7-6-12-17(16)14(22)10-15-19(12,3)8-5-9-20(15,4)18(23)24/h6-7,11,14-15,21-22H,5,8-10H2,1-4H3,(H,23,24)/t14-,15+,19+,20-/m0/s1
InChIKey: InChIKey=GMSLFNUEEZTQCO-BWMZKYQQSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 40.3 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 38.4 |
| 4 (C) | 43.7 |
| 5 (CH) | 45.6 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 65.5 |
| 8 (C) | 136.6 |
| 9 (C) | 140.3 |
| 10 (C) | 39.2 |
| 11 (CH) | 124.4 |
| 12 (CH) | 117.3 |
| 13 (C) | 155.7 |
| 14 (C) | 134 |
| 15 (CH) | 28.5 |
| 16 (CH3) | 21.3 |
| 17 (CH3) | 21.2 |
| 18 (CH3) | 29.1 |
| 19 (C) | 180.4 |
| 20 (CH3) | 23.1 |
