Spektraris NMR
Pentandranoic acid B
Common Name: Pentandranoic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-11(8-17(22)23)15(21)10-19(5)12(2)6-7-18(4)13(3)14(20)9-16(18)19/h12-13,16H,1,6-10H2,2-5H3,(H,22,23)/t12-,13-,16+,18+,19+/m1/s1
InChIKey: InChIKey=SBAJVJRZBWJEIA-FZGRFCFCSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
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) | 35.9 |
| 2 (C) | 219.4 |
| 4 (CH) | 59.4 |
| 5 (C) | 42.7 |
| 6 (CH2) | 37.7 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 38 |
| 9 (C) | 39.8 |
| 10 (CH) | 49.7 |
| 11 (CH2) | 44.8 |
| 12 (C) | 200.6 |
| 13 (C) | 143.1 |
| 14 (CH2) | 37 |
| 15 (C) | 174.5 |
| 16 (CH2) | 127.2 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 14.2 |
| 20 (CH3) | 17 |
