Spektraris NMR
Rotundifuran
Common Name: Rotundifuran
Synonyms: Rotundifuran
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1
InChIKey: InChIKey=QKHCQFQIJKXMOE-UGFIEOPBSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Sawamura, H., Ito, Y., Mizuki, K., Nohara, T. Phytochemistry (2000) 55, 873-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 33.6 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 43.6 |
| 4 (C) | 33.9 |
| 5 (CH) | 47.4 |
| 6 (CH) | 70.3 |
| 7 (CH2) | 36.1 |
| 8 (CH) | 31.8 |
| 9 (C) | 76.9 |
| 10 (C) | 43.6 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 21.4 |
| 13 (C) | 125.4 |
| 14 (CH) | 110.8 |
| 15 (CH) | 142.9 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 16 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 19 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.9 |
