Spektraris NMR
3.0
Common Name: 3.0
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13(2)16-9-10-21(5)18(24)11-14(3)7-8-19-22(6,26-19)12-17(20(16)21)25-15(4)23/h11,16-17,19-20H,1,7-10,12H2,2-6H3/b14-11+/t16-,17-,19+,20+,21+,22+/m0/s1
InChIKey: InChIKey=ZXEUYNNBVKTWOV-IAORDMLLSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.M., Harrison, L.J., Tan, B.C. Tetrahedron (2009) 65, 4035-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) | 56.8 |
| 2 (C) | 203.3 |
| 3 (CH) | 123.1 |
| 4 (C) | 152.5 |
| 5 (CH2) | 37.4 |
| 6 (CH2) | 25 |
| 7 (CH) | 61.3 |
| 8 (C) | 58.8 |
| 9 (CH2) | 43.2 |
| 10 (CH) | 71.6 |
| 11 (CH) | 46.5 |
| 12 (CH) | 50.1 |
| 13 (CH2) | 30 |
| 14 (CH2) | 32.9 |
| 15 (CH3) | 19.9 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 19.9 |
| 18 (C) | 147.1 |
| 19 (CH2) | 112.6 |
| 20 (CH3) | 20.5 |
| 10a (C) | 170.1 |
| 10b (CH3) | 21.4 |
