Spektraris NMR
Elisabethin D acetate
Common Name: Elisabethin D acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-11(2)9-16-10-12(3)17-8-7-13(4)22(26)20(25)18(27-15(6)23)14(5)19(24)21(16,17)22/h9,12-13,16-17,26H,7-8,10H2,1-6H3/t12-,13-,16+,17+,21-,22+/m0/s1
InChIKey: InChIKey=VKFQFGWXKKFZLB-QFMPVXEGSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Rodriguez, I., Barnes, C.L. J Org Chem (2000) 65, 1390-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Elisabethanes; 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) | 70.2 |
| 2 (C) | 80.5 |
| 3 (CH) | 27.6 |
| 4 (CH2) | 24.9 |
| 5 (CH2) | 25.2 |
| 6 (CH) | 44.7 |
| 7 (CH) | 38 |
| 8 (CH2) | 40.1 |
| 9 (CH) | 44.9 |
| 10 (CH) | 125.2 |
| 11 (C) | 133.6 |
| 12 (CH3) | 25.9 |
| 13 (CH3) | 17.6 |
| 14 (C) | 200.4 |
| 15 (C) | 134.9 |
| 16 (C) | 151.6 |
| 17 (C) | 190.5 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 18.9 |
| 20 (CH3) | 9.5 |
| 16a (C) | 168.4 |
| 16b (CH3) | 20.2 |
