Spektraris NMR
Crotinsularin
Common Name: Crotinsularin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-6-8-18(2)16(4-5-17(21)19(18,3)22)20(13)10-15(24-12-20)14-7-9-23-11-14/h7,9-11,13,16-17,21-22H,4-6,8,12H2,1-3H3/t13-,16+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=ZHETXDMTDBQVIV-JPXWGHGXSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Graikou, K., Aligiannis, N., Skaltsounis, A.L., Chinou, I., Michel, S., Tillequin, F., Litaudon, M. J Nat Prod (2004) 67, 685-8
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) | 19.9 |
| 2 (CH2) | 30.7 |
| 3 (CH) | 77 |
| 4 (C) | 78.3 |
| 5 (C) | 41.4 |
| 6 (CH2) | 32.6 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 40.8 |
| 9 (C) | 56 |
| 10 (CH) | 45.3 |
| 11 (CH) | 106.4 |
| 12 (C) | 147.9 |
| 13 (C) | 118 |
| 14 (CH) | 108.9 |
| 15 (CH) | 143.7 |
| 16 (CH) | 140.1 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 22 |
| 19 (CH3) | 16.5 |
| 20 (CH2) | 70.9 |
