Spektraris NMR
18-Oxohelioscopinolide A
Common Name: 18-Oxohelioscopinolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-11-13-8-12-4-5-16-19(2,7-6-17(22)20(16,3)10-21)14(12)9-15(13)24-18(11)23/h8,10,14-17,22H,4-7,9H2,1-3H3/t14-,15-,16+,17-,19+,20-/m1/s1
InChIKey: InChIKey=UKHNVFJANWGPGI-WRPXMVFYSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yu, H.W., Li, B.G., Li, G.Y., Li, C.S., Fang, D.M., Zhang, G.L. Chem Pharm Bull (2007) 55, 1744-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.9 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 72.1 |
| 4 (C) | 55 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 36.3 |
| 8 (C) | 149.8 |
| 9 (CH) | 51.3 |
| 10 (C) | 40.1 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 75.6 |
| 13 (C) | 155.4 |
| 14 (CH) | 115 |
| 15 (C) | 117.2 |
| 16 (C) | 175 |
| 17 (CH3) | 8.3 |
| 18 (CH) | 206 |
| 19 (CH3) | 9.2 |
| 20 (CH3) | 17 |
