Spektraris NMR
Zythiostromic acid A
Common Name: Zythiostromic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-5-12-11(2)6-7-14-13(12)10-16(22)20(25)18(14,3)9-8-15(21)19(20,4)17(23)24/h5,12-16,21-22,25H,1-2,6-10H2,3-4H3,(H,23,24)/t12-,13-,14-,15+,16+,18+,19+,20-/m0/s1
InChIKey: InChIKey=OJAGHAXHKQAOGI-CRXBOGTJSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ayer, W.A., Khan, A.Q. Phytochemistry (1996) 42, 1647-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 30.8 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 76.1 |
| 4 (C) | 54 |
| 5 (C) | 81 |
| 6 (CH) | 70.8 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 36.3 |
| 9 (CH) | 42.8 |
| 10 (C) | 42.5 |
| 11 (CH2) | 28.9 |
| 12 (CH2) | 32.8 |
| 13 (C) | 154.1 |
| 14 (CH) | 56 |
| 15 (CH) | 139.4 |
| 16 (CH2) | 115.8 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 21.3 |
| 19 (C) | 184.2 |
| 20 (CH3) | 16.7 |
