Spektraris NMR
Smaditerpenic acid D
Common Name: Smaditerpenic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-6-21(5,25)14-8-10-18(15-22)9-7-11-19(20(23)24)13-12-17(4)16(2)3/h6,10-11,16,22,25H,1,4,7-9,12-15H2,2-3,5H3,(H,23,24)/b18-10-,19-11-/t21-/m0/s1
InChIKey: InChIKey=UKRCSBUBFKITSK-NPPIUAQESA-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) | 111.9 |
| 2 (CH) | 146.8 |
| 3 (C) | 73.6 |
| 4 (CH2) | 42 |
| 5 (CH2) | 22.3 |
| 6 (CH) | 129.6 |
| 7 (C) | 137.3 |
| 8 (CH2) | 35.1 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 143.7 |
| 11 (C) | 131.8 |
| 12 (CH2) | 33.4 |
| 13 (CH2) | 34.2 |
| 14 (C) | 155.1 |
| 15 (CH) | 33.8 |
| 16 (CH3) | 21.8 |
| 17 (CH3) | 21.8 |
| 18 (C) | 172.2 |
| 19 (CH2) | 59.9 |
| 20 (CH3) | 27.9 |
| 14a (CH2) | 106.9 |
