Spektraris NMR
Angustanoic acid B
Common Name: Angustanoic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13(2)19-10-11-20(24-23-19)14(12-19)6-7-15-17(3,16(21)22)8-5-9-18(15,20)4/h12,15H,1,5-11H2,2-4H3,(H,21,22)/t15-,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=WMBGNPQDZHRODL-ONSCTEFMSA-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) | 31.6 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 37.8 |
| 4 (C) | 45.2 |
| 5 (CH) | 44 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 24.7 |
| 8 (C) | 145 |
| 9 (C) | 81 |
| 10 (C) | 40 |
| 11 (CH2) | 22 |
| 12 (CH2) | 28.2 |
| 13 (C) | 78.3 |
| 14 (CH) | 127.3 |
| 15 (C) | 143.3 |
| 16 (CH2) | 112.9 |
| 17 (CH3) | 19.3 |
| 18 (CH3) | 28.3 |
| 19 (C) | 183.7 |
| 20 (CH3) | 18.5 |
