Spektraris NMR
Inuroyleanol
Common Name: Inuroyleanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h11,13,23-24H,7-10H2,1-6H3/t13-,21-/m0/s1
InChIKey: InChIKey=ACKWWYIXLTYJCG-ZSEKCTLFSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Frontana, B., Cardenas, J., Rodriguezhahn, L. Phytochemistry (1994) 36, 739-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.4 |
| 2 (CH2) | 19 |
| 3 (CH2) | 41.1 |
| 4 (C) | 33.4 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 35.8 |
| 7 (C) | 206.1 |
| 8 (C) | 118.3 |
| 9 (C) | 135.8 |
| 10 (C) | 40.3 |
| 11 (C) | 138.5 |
| 12 (C) | 152.1 |
| 13 (C) | 126.1 |
| 14 (C) | 158.2 |
| 15 (CH) | 26 |
| 16 (CH3) | 20.3 |
| 17 (CH3) | 20.3 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 17.9 |
| 12a (CH3) | 62 |
