Spektraris NMR
19-Acetoxypregaleopsin
Common Name: 19-Acetoxypregaleopsin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-16(25)29-14-20(3)7-6-8-21(4)18(20)13-19(27)22(5,30-17(2)26)24(21)10-9-23(31-24)11-12-28-15-23/h11-12,18H,6-10,13-15H2,1-5H3/t18-,20+,21-,22-,23+,24-/m0/s1
InChIKey: InChIKey=CCMKQSMHSRBURN-OCAXILEQSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Papanov, G.Y., Malakov, P.Y., Rodriguez, B., De la Torre, M.C. Phytochemistry (1998) 47, 1149-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 33.7 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 35.9 |
| 4 (C) | 37.9 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 35.7 |
| 7 (C) | 205.1 |
| 8 (C) | 87.5 |
| 9 (C) | 96.7 |
| 10 (C) | 42.9 |
| 11 (CH2) | 28.9 |
| 12 (CH2) | 38.4 |
| 13 (C) | 94.7 |
| 14 (CH) | 106.8 |
| 15 (CH) | 148.5 |
| 16 (CH2) | 80.3 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 26.8 |
| 19 (CH2) | 66.9 |
| 20 (CH3) | 18.2 |
| 8a (C) | 169 |
| 8b (CH3) | 21.4 |
| 19a (C) | 171.2 |
| 19b (CH3) | 20.9 |
