Spektraris NMR
Smaditerpenic acid A
Common Name: Smaditerpenic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-16(2)7-4-11-19(20(23)24)12-6-10-18(15-22)9-5-8-17(3)13-14-21/h7,9,12-13,21-22H,4-6,8,10-11,14-15H2,1-3H3,(H,23,24)/b17-13-,18-9-,19-12-
InChIKey: InChIKey=XVPUGZPKHJALRX-QIZBNSCRSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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) | 128.4 |
| 7 (C) | 138.2 |
| 8 (CH2) | 34.6 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 143.5 |
| 11 (C) | 131.4 |
| 12 (CH2) | 34.8 |
| 13 (CH2) | 27.8 |
| 14 (CH) | 123.4 |
| 15 (C) | 132.2 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 17.7 |
| 18 (C) | 171.9 |
| 19 (CH2) | 59.8 |
| 20 (CH3) | 23.4 |
