Spektraris NMR
Caseargrewiin C
Common Name: Caseargrewiin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O10/c1-10-17(4)11-12-30(9)18(5)26(37-19(6)32)27(36)31-23(28(38-20(7)33)41-29(31)39-21(8)34)14-22(15-24(30)31)40-25(35)13-16(2)3/h10-11,14,16,18,22,24,26-29,36H,1,12-13,15H2,2-9H3/b17-11-/t18-,22+,24+,26-,27+,28+,29-,30-,31-/m1/s1
InChIKey: InChIKey=FKSLEDQKNYSZPO-BQLSBOTOSA-N
Formula: C31H44O10
Molecular Weight: 576.676255
Exact Mass: 576.293448
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Kanarsa, T., Buayairaksa, M. J Nat Prod (2005) 68, 183-8
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) | 26.7 |
| 2 (CH) | 66 |
| 3 (CH) | 122.1 |
| 4 (C) | 144.6 |
| 5 (C) | 53.6 |
| 6 (CH) | 74.9 |
| 7 (CH) | 75.4 |
| 8 (CH) | 41.1 |
| 9 (C) | 39.3 |
| 10 (CH) | 36 |
| 11 (CH2) | 30.1 |
| 12 (CH) | 125.6 |
| 13 (C) | 134 |
| 14 (CH) | 133.3 |
| 15 (CH2) | 114.8 |
| 16 (CH3) | 20 |
| 17 (CH3) | 11 |
| 18 (CH) | 95.6 |
| 19 (CH) | 97.5 |
| 20 (CH3) | 25.4 |
| 2a (C) | 172.5 |
| 2b (CH2) | 43.6 |
| 2c (CH) | 26.1 |
| 2d (CH3) | 22.3 |
| 2ca (CH3) | 22.4 |
| 7a (C) | 171.6 |
| 7b (CH3) | 20.9 |
| 18a (C) | 170.1 |
| 18b (CH3) | 21.2 |
| 19a (C) | 168.8 |
| 19b (CH3) | 21.2 |
