Spektraris NMR
Gorgiacerolide
Common Name: Gorgiacerolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-5-26-20-10-15(22)6-13(4)7-16-8-14(21(25)27-16)9-18(23)17(12(2)3)11-19(20)24/h6,8,16-17,20H,2,5,7,9-11H2,1,3-4H3/b13-6+/t16-,17?,20+/m0/s1
InChIKey: InChIKey=ALTRNXWGUQFXSC-TVWTUMFXSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J. J Nat Prod (1998) 61, 401-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 55.8 |
| 2 (CH2) | 44.4 |
| 3 (C) | 205.4 |
| 4 (CH) | 80.3 |
| 5 (CH2) | 45.2 |
| 6 (C) | 200.6 |
| 7 (CH) | 124.6 |
| 8 (C) | 151.8 |
| 9 (CH2) | 42.9 |
| 10 (CH) | 79.6 |
| 11 (CH) | 150.7 |
| 12 (C) | 128.2 |
| 13 (CH2) | 36.9 |
| 14 (C) | 205.6 |
| 15 (C) | 139.9 |
| 16 (CH3) | 20.3 |
| 17 (CH2) | 116.3 |
| 19 (CH3) | 21.5 |
| 20 (C) | 173.5 |
| 4a (CH2) | 66.1 |
| 4b (CH3) | 15.2 |
