Spektraris NMR
Angustanoic acid H
Common Name: Angustanoic acid H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13(12-21)14-7-10-20(24)15(11-14)5-6-16-18(2,17(22)23)8-4-9-19(16,20)3/h11-12,16,24H,4-10H2,1-3H3,(H,22,23)/b14-13+/t16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=DTLNNBJPRNNBTE-YWUSLYSRSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sy, L.K., Brown, G.D. J Nat Prod (1998) 61, 907-12
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 31.5 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 37.4 |
| 4 (C) | 44.2 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 33.1 |
| 8 (C) | 150 |
| 9 (C) | 74.7 |
| 10 (C) | 42.9 |
| 11 (CH2) | 29.4 |
| 12 (CH2) | 20.9 |
| 13 (C) | 150.2 |
| 14 (CH) | 124.4 |
| 15 (C) | 129.8 |
| 16 (CH) | 191.1 |
| 17 (CH3) | 10.2 |
| 18 (CH3) | 29.2 |
| 19 (C) | 182.9 |
| 20 (CH3) | 17 |
