Spektraris NMR
Angustanoic acid I
Common Name: Angustanoic acid I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12(2)13-6-9-20(25-24)14(15(21)10-13)11-16-18(3,17(22)23)7-5-8-19(16,20)4/h10,14,16,24H,1,5-9,11H2,2-4H3,(H,22,23)/t14-,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=JYOMOFXSZVAADM-MGFONVBGSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent:
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 : Abeo-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) | 29.6 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 37.2 |
| 4 (C) | 43.8 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 21.36 |
| 7 (CH) | 57.5 |
| 8 (C) | 200.6 |
| 9 (C) | 83.7 |
| 10 (C) | 49.8 |
| 11 (CH2) | 33.3 |
| 12 (CH2) | 27.9 |
| 13 (C) | 154.5 |
| 14 (CH) | 129.6 |
| 15 (C) | 145.3 |
| 16 (CH2) | 117 |
| 17 (CH3) | 21.39 |
| 18 (CH3) | 28.4 |
| 19 (C) | 182.9 |
| 20 (CH3) | 15.5 |
