Spektraris NMR
Diasin
Common Name: Diasin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O7/c1-20(18(23)25-2)6-3-4-12-13(20)8-14-16-17(22)27-15(11-5-7-26-10-11)9-21(12,16)19(24)28-14/h5,7,10,12-16H,3-4,6,8-9H2,1-2H3/t12-,13-,14+,15+,16?,20+,21-/m1/s1
InChIKey: InChIKey=ZGRXZVQQLDOVAT-SAOWJBITSA-N
Formula: C21H24O7
Molecular Weight: 388.411866
Exact Mass: 388.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Alvarenga, M.A., Gottlieb, H.E., Gottlieb, O.R., Magalhaes, M.T., da Silva, V.O. Phytochemistry (1978) 17, 1773-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Chettaphananes; 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) | 18.7 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 29.5 |
| 4 (C) | 45.2 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 74.9 |
| 8 (CH) | 53.7 |
| 9 (C) | 36.2 |
| 10 (CH) | 42.2 |
| 11 (CH2) | 42.5 |
| 12 (CH) | 71.3 |
| 13 (C) | 124.9 |
| 14 (CH) | 108.1 |
| 15 (CH) | 143.6 |
| 16 (CH) | 139.2 |
| 17 (C) | 168 |
| 18 (CH3) | 13.7 |
| 19 (C) | 177.9 |
| 20 (C) | 171.1 |
| 19a (CH3) | 51.9 |
