Spektraris NMR
Umbellacin G
Common Name: Umbellacin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14(2)8-7-9-19-18-11-10-15(3)12-17(23)13-16(4)20(18)22(25-6)26-21(19)24-5/h7-9,12,14,17-18,20-23H,4,10-11,13H2,1-3,5-6H3/b8-7+,15-12+,19-9+/t17-,18+,20-,21-,22-/m0/s1
InChIKey: InChIKey=LKDFPVGNFJBDEC-GYBNHQDSSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 149.6 |
| 2 (CH) | 56.3 |
| 3 (CH) | 44.2 |
| 4 (CH2) | 35.8 |
| 5 (CH2) | 39.7 |
| 6 (C) | 132.8 |
| 7 (CH) | 130.5 |
| 8 (CH) | 68.2 |
| 9 (CH2) | 45.6 |
| 10 (C) | 139.4 |
| 11 (CH) | 124.6 |
| 12 (CH) | 121.2 |
| 13 (CH) | 144.2 |
| 14 (CH) | 71.1 |
| 15 (CH3) | 29.6 |
| 16 (CH3) | 29.6 |
| 17 (CH) | 99.6 |
| 18 (CH) | 104.3 |
| 19 (CH2) | 111 |
| 20 (CH3) | 18.2 |
| 17a (CH3) | 55.8 |
| 18a (CH3) | 57.1 |
