Spektraris NMR
Chamaecydin
Common Name: Chamaecydin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O3/c1-15(2)20-22-21-17(26(33)30(22)12-11-29(16(3)4)14-19(29)30)13-18-27(5,6)9-8-10-28(18,7)23(21)25(32)24(20)31/h15-16,18-19,32H,8-14H2,1-7H3/t18-,19?,28-,29?,30?/m0/s1
InChIKey: InChIKey=CTGGVCKBMLNHNX-YUVSNNOMSA-N
Formula: C30H40O3
Molecular Weight: 448.637922
Exact Mass: 448.297745
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1993) 34, 779-82
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) | 36.5 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.6 |
| 4 (C) | 33.8 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 19.4 |
| 7 (C) | 145.1 |
| 8 (C) | 151.7 |
| 9 (C) | 123.6 |
| 10 (C) | 38.6 |
| 11 (C) | 144.6 |
| 12 (C) | 182.6 |
| 13 (C) | 136.3 |
| 14 (C) | 149.4 |
| 15 (CH) | 28.7 |
| 16 (CH3) | 20 |
| 17 (CH3) | 20.4 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 22 |
| 20 (CH3) | 19.1 |
| 1' (C) | 34.7 |
| 2' (CH2) | 30.7 |
| 3' (CH2) | 29.8 |
| 4' (C) | 57.9 |
| 5' (CH) | 30.9 |
| 6' (CH2) | 13.2 |
| 7' (CH) | 31.6 |
| 8' (CH3) | 19.6 |
| 9' (CH3) | 20.2 |
| 10' (C) | 205.7 |
