Spektraris NMR
18-Hydroxyhelioscopinolide A
Common Name: 18-Hydroxyhelioscopinolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/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/h8,14-17,21-22H,4-7,9-10H2,1-3H3/t14-,15-,16+,17-,19+,20-/m1/s1
InChIKey: InChIKey=NFIUXPYNCKPPAG-WRPXMVFYSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 37.1 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 75.8 |
| 4 (C) | 42.3 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 36.6 |
| 8 (C) | 151 |
| 9 (CH) | 51.5 |
| 10 (C) | 41.1 |
| 11 (CH2) | 27.2 |
| 12 (CH) | 75.4 |
| 13 (C) | 155.8 |
| 14 (CH) | 114.3 |
| 15 (C) | 116.7 |
| 16 (C) | 175.2 |
| 17 (CH3) | 8.2 |
| 18 (CH2) | 70.6 |
| 19 (CH3) | 11.6 |
| 20 (CH3) | 17.2 |
