Spektraris NMR
Angustanoic acid D
Common Name: Angustanoic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=FPDDUPUDFYVZHW-QOOKETHRSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 31.8 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 38 |
| 4 (C) | 45.2 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 24.7 |
| 8 (C) | 145 |
| 9 (C) | 81 |
| 10 (C) | 39.9 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 23.7 |
| 13 (C) | 81.8 |
| 14 (CH) | 125.7 |
| 15 (C) | 72.5 |
| 16 (CH3) | 25.3 |
| 17 (CH3) | 24.8 |
| 18 (CH3) | 28.3 |
| 19 (C) | 183.4 |
| 20 (CH3) | 18.6 |
