Spektraris NMR
Pentandranoic acid A
Common Name: Pentandranoic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12(8-18(23)24)16(22)10-20(5)13(2)6-7-19(4)14(3)15(11-21)9-17(19)20/h11,13,17H,1,6-10H2,2-5H3,(H,23,24)/t13-,17+,19+,20+/m1/s1
InChIKey: InChIKey=GEYOTLVJLLCPMD-IKTSWFPUSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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 : Abeo-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) | 26.8 |
| 2 (C) | 137.2 |
| 3 (CH) | 188.9 |
| 4 (C) | 172 |
| 5 (C) | 50.8 |
| 6 (CH2) | 33.7 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 38 |
| 9 (C) | 40.2 |
| 10 (CH) | 53.7 |
| 11 (CH2) | 44.9 |
| 12 (C) | 200.8 |
| 13 (C) | 143.2 |
| 14 (CH2) | 37.4 |
| 15 (C) | 174.5 |
| 16 (CH2) | 126.9 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 17 |
| 20 (CH3) | 17.7 |
