Spektraris NMR
Pentandranoic acid C
Common Name: Pentandranoic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12(10-18(23)24)16(22)11-20(5)13(2)8-9-19(4)14(3)15(21)6-7-17(19)20/h13,15,17,21H,1,3,6-11H2,2,4-5H3,(H,23,24)/t13-,15-,17+,19+,20+/m1/s1
InChIKey: InChIKey=AXFOKPPCLGXPNK-UJSLSXSBSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, J., Harrison, L.J., Vittal, J.J., Xu, Y.J., Goh, S.H. J Nat Prod (2000) 63, 1062-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.8 |
| 2 (CH2) | 34.1 |
| 3 (CH) | 74.6 |
| 4 (C) | 160.1 |
| 5 (C) | 39.9 |
| 6 (CH2) | 37.5 |
| 7 (CH2) | 27 |
| 8 (CH) | 36.8 |
| 9 (C) | 42.3 |
| 10 (CH) | 48 |
| 11 (CH2) | 43.1 |
| 12 (C) | 201 |
| 13 (C) | 143.2 |
| 14 (CH2) | 37.2 |
| 15 (C) | 175.7 |
| 16 (CH2) | 126.7 |
| 17 (CH3) | 16.6 |
| 18 (CH2) | 109.8 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 17.8 |
