Spektraris NMR
Coetsoidin A
Common Name: Coetsoidin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-11-4-5-12-18-6-7-19(24,25-9-18)17(2,3)13(18)8-14(21)20(12,15(10)22)16(11)23/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12-,13+,14+,16+,18+,19+,20-/m0/s1
InChIKey: InChIKey=FCIGPGKXILHDAK-FWLGIFJMSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sun, H.D., Lin, Z.W., Niu, F.D., Lin, L.Z., Chai, H.B., Pezzuto, J.M., Cordell, G.A. Phytochemistry (1995) 38, 437-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 30.4 |
| 2 (CH2) | 35.1 |
| 3 (C) | 98 |
| 4 (C) | 40.7 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 31 |
| 7 (CH) | 72.8 |
| 8 (C) | 61.2 |
| 9 (CH) | 48.5 |
| 10 (C) | 37.2 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 46.4 |
| 14 (CH) | 76.5 |
| 15 (C) | 207.5 |
| 16 (C) | 149.7 |
| 17 (CH2) | 116.5 |
| 18 (CH3) | 27.3 |
| 19 (CH3) | 19.5 |
| 20 (CH2) | 68.1 |
