Spektraris NMR
Inumakiol A
Common Name: Inumakiol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)14-11-15-13(10-16(14)21)6-7-17-19(15,3)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20+/m1/s1
InChIKey: InChIKey=DBYRRXHVPLYICE-RLLQIKCJSA-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) | 40.4 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 38.5 |
| 4 (C) | 44.2 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 22 |
| 7 (CH2) | 32.2 |
| 8 (C) | 133.9 |
| 9 (C) | 139.8 |
| 10 (C) | 38.7 |
| 11 (CH) | 123.7 |
| 12 (C) | 133.5 |
| 13 (C) | 153.5 |
| 14 (CH) | 115.4 |
| 15 (CH) | 28 |
| 16 (CH3) | 23.2 |
| 17 (CH3) | 23.4 |
| 18 (CH3) | 29.2 |
| 19 (C) | 180 |
| 20 (CH3) | 24 |
