Spektraris NMR
Umbellacin C
Common Name: Umbellacin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-19(2,23)9-4-5-14-12-24-18(22)17-13-6-7-16(21)20(3,11-13)10-8-15(14)17/h4-6,9,15-17,21,23H,7-8,10-12H2,1-3H3/b9-4+,14-5-/t15-,16+,17+,20+/m1/s1
InChIKey: InChIKey=VDKKZKHDDPOYMA-REVMAYDISA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Duh, C.Y. J Nat Prod (2006) 69, 338-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 136.7 |
| 2 (CH) | 51.3 |
| 3 (CH) | 50.5 |
| 4 (CH2) | 29.5 |
| 5 (CH2) | 39.8 |
| 6 (C) | 40.5 |
| 7 (CH) | 74.8 |
| 8 (CH2) | 34.9 |
| 9 (CH) | 123.9 |
| 10 (C) | 134.3 |
| 11 (CH) | 128.7 |
| 12 (CH) | 120.9 |
| 13 (CH) | 144.8 |
| 14 (C) | 70.8 |
| 15 (CH3) | 29.8 |
| 16 (CH3) | 29.8 |
| 17 (CH2) | 73.1 |
| 18 (C) | 172.2 |
| 19 (CH2) | 39.8 |
| 20 (CH3) | 23.3 |
