Spektraris NMR
Casearinone A
Common Name: Casearinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-8-14(2)9-10-25(7)15(3)11-22(30)26-20(12-19(13-21(25)26)31-16(4)27)23(32-17(5)28)34-24(26)33-18(6)29/h8-9,15,19-21,23-24H,1,10-13H2,2-7H3/b14-9+/t15-,19-,20+,21+,23+,24-,25-,26-/m0/s1
InChIKey: InChIKey=IHEGPSNNXNVYDQ-ASRBLDRASA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hunter, M.S., Corley, D.G., Carron, C.P., Rowold, E., Kilpatrick, B.F., Durley, R.C. J Nat Prod (1997) 60, 894-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 27.6 |
| 2 (CH) | 69 |
| 3 (CH2) | 25.9 |
| 4 (CH) | 37.5 |
| 5 (C) | 65.5 |
| 6 (C) | 207.7 |
| 7 (CH2) | 43.2 |
| 8 (CH) | 38.2 |
| 9 (C) | 37.6 |
| 10 (CH) | 40.3 |
| 11 (CH2) | 30.3 |
| 12 (CH) | 127.3 |
| 13 (C) | 136.7 |
| 14 (CH) | 140.9 |
| 15 (CH2) | 111.6 |
| 16 (CH3) | 12.1 |
| 17 (CH3) | 15.7 |
| 18 (CH) | 98.6 |
| 19 (CH) | 96.7 |
| 20 (CH3) | 25.1 |
| 2a (C) | 170.8 |
| 2b (CH3) | 21 |
| 18a (C) | 169.4 |
| 18b (CH3) | 21 |
| 19a (C) | 168.9 |
| 19b (CH3) | 21 |
