Spektraris NMR
Angustanoic acid A
Common Name: Angustanoic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,17H,1,5-11H2,2-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey: InChIKey=WNBPGFDYVSHZNY-RLLQIKCJSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
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) | 36 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 37.5 |
| 4 (C) | 43.8 |
| 5 (CH) | 53.3 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 31.3 |
| 8 (C) | 126 |
| 9 (C) | 140.2 |
| 10 (C) | 38.7 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 24.9 |
| 13 (C) | 134.6 |
| 14 (CH) | 125.1 |
| 15 (C) | 142.5 |
| 16 (CH2) | 111 |
| 17 (CH3) | 20.3 |
| 18 (CH3) | 28.6 |
| 19 (C) | 183.9 |
| 20 (CH3) | 18.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.