Spektraris NMR
Dihydroisotanshinone I
Common Name: Dihydroisotanshinone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)18-14(16(13)19)10(2)8-21-18/h3-7,10H,8H2,1-2H3
InChIKey: InChIKey=KXNYCALHDXGJSF-UHFFFAOYSA-N
Formula: C18H14O3
Molecular Weight: 278.302631
Exact Mass: 278.094294
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Don, M.J., Shen, C.C., Syu, W.J., Ding, Y.H., Sun, C.M. Phytochemistry (2006) 67, 497-503
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 (CH) | 125.6 |
| 2 (CH) | 130.1 |
| 3 (CH) | 129 |
| 4 (C) | 134.8 |
| 5 (C) | 135.6 |
| 6 (CH) | 131.5 |
| 7 (CH) | 121.7 |
| 8 (C) | 133.6 |
| 9 (C) | 126.3 |
| 10 (C) | 130.7 |
| 11 (C) | 181.2 |
| 12 (C) | 160.9 |
| 13 (C) | 124.9 |
| 14 (C) | 182.7 |
| 15 (CH) | 35.6 |
| 16 (CH2) | 80.4 |
| 17 (CH3) | 18.9 |
| 18 (CH3) | 20 |
