Spektraris NMR
Smaditerpenic acid B
Common Name: Smaditerpenic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-5-20(4,24)14-8-11-17(15-21)10-7-13-18(19(22)23)12-6-9-16(2)3/h5,9,11,13,21,24H,1,6-8,10,12,14-15H2,2-4H3,(H,22,23)/b17-11-,18-13-/t20-/m0/s1
InChIKey: InChIKey=ACCLBNYEFRAUCK-BIDMWUBCSA-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) | 111.9 |
| 2 (CH) | 144.8 |
| 3 (C) | 73.6 |
| 4 (CH2) | 42 |
| 5 (CH2) | 22.4 |
| 6 (CH) | 129.6 |
| 7 (C) | 137.3 |
| 8 (CH2) | 35.1 |
| 9 (CH2) | 28.5 |
| 10 (CH) | 143.9 |
| 11 (C) | 131.5 |
| 12 (CH2) | 34.6 |
| 13 (CH2) | 27.8 |
| 14 (CH) | 123.4 |
| 15 (C) | 132.2 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 17.7 |
| 18 (C) | 172.2 |
| 19 (CH2) | 59.9 |
| 20 (CH3) | 27.9 |
