Spektraris NMR
Smaditerpenic acid C
Common Name: Smaditerpenic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-16(2)18(4)11-12-20(21(24)25)10-6-9-19(15-23)8-5-7-17(3)13-14-22/h8,10,13,16,22-23H,4-7,9,11-12,14-15H2,1-3H3,(H,24,25)/b17-13-,19-8-,20-10-
InChIKey: InChIKey=HIFHHPAUYJJLRV-KYJCARRESA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dou, D.Q., Tian, F., Qiu, Y.K., Kang, T.G., Dong, F. Magn Reson Chem (2008) 46, 775-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 58.7 |
| 2 (CH) | 124.5 |
| 3 (C) | 139.3 |
| 4 (CH2) | 32 |
| 5 (CH2) | 26.1 |
| 6 (CH) | 128.3 |
| 7 (C) | 138.2 |
| 8 (CH2) | 34.8 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 143.5 |
| 11 (C) | 131.9 |
| 12 (CH2) | 33.4 |
| 13 (CH2) | 34.1 |
| 14 (C) | 155.1 |
| 15 (CH) | 33.8 |
| 16 (CH3) | 21.8 |
| 17 (CH3) | 21.8 |
| 18 (C) | 171.9 |
| 19 (CH2) | 59.8 |
| 20 (CH3) | 23.4 |
| 14a (CH2) | 106.8 |
