Spektraris NMR
CHEMBL503330
Common Name: CHEMBL503330
Synonyms: CHEMBL503330
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-15-7-6-14-21(4)19(24-21)13-10-16(2)9-12-18(11-8-15)17(3)20(22)23-5/h7,9,12,17,19H,6,8,10-11,13-14H2,1-5H3/b15-7+,16-9+,18-12+/t17?,19-,21-/m1/s1
InChIKey: InChIKey=RINNRXYTVAOICT-QLFNBJMJSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matthee, G.F., Konig, G.M., Wright, A.D. J Nat Prod (1998) 61, 237-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 139.7 |
| 2 (CH) | 122.9 |
| 3 (CH) | 121 |
| 4 (C) | 136.6 |
| 5 (CH2) | 35.9 |
| 6 (CH2) | 25.7 |
| 7 (CH) | 61.3 |
| 8 (C) | 60 |
| 9 (CH2) | 36.9 |
| 10 (CH2) | 22.3 |
| 11 (CH) | 126.1 |
| 12 (C) | 135.3 |
| 13 (CH2) | 38.2 |
| 14 (CH2) | 29 |
| 15 (CH) | 46.3 |
| 16 (C) | 175.3 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 17.1 |
| 16a (CH3) | 51.8 |
