Spektraris NMR
Scutebaicalin
Common Name: Scutebaicalin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H38O7/c1-22-12-11-17-26-32(2,19-18-23-20-27(35)39-21-23)34(4,38)29(41-31(37)25-15-9-6-10-16-25)28(33(22,26)3)40-30(36)24-13-7-5-8-14-24/h5-10,13-16,20,26,28-29,38H,1,11-12,17-19,21H2,2-4H3/t26-,28+,29+,32-,33+,34+/m1/s1
InChIKey: InChIKey=CWOKDPJWTGLVOB-SYBWOBSOSA-N
Formula: C34H38O7
Molecular Weight: 558.662604
Exact Mass: 558.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hussein, A.A., delaTorre, M.C., Jimeno, M.L., Rodriguez, B., Bruno, M., Piozzi, F., Servettaz, O. Phytochemistry (1996) 43, 835-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 22.25 |
| 2 (CH2) | 28.36 |
| 3 (CH2) | 33.1 |
| 4 (C) | 153.95 |
| 5 (C) | 45.98 |
| 6 (CH) | 74.42 |
| 7 (CH) | 76.14 |
| 8 (C) | 79.49 |
| 9 (C) | 43.24 |
| 10 (CH) | 43.81 |
| 11 (CH2) | 35.03 |
| 12 (CH2) | 25.02 |
| 13 (C) | 171.66 |
| 14 (CH) | 114.39 |
| 15 (C) | 174.13 |
| 16 (CH2) | 73.21 |
| 17 (CH3) | 21.67 |
| 18 (CH2) | 104.65 |
| 19 (CH3) | 16.92 |
| 20 (CH3) | 21.61 |
| 6a (C) | 165.96 |
| 6b (C) | 130.1 |
| 6c (CH) | 129.78 |
| 6d (CH) | 128.24 |
| 6e (CH) | 133.15 |
| 6f (CH) | 128.24 |
| 6g (CH) | 129.78 |
| 7a (C) | 166.11 |
| 7b (C) | 129.02 |
| 7c (CH) | 129.41 |
| 7d (CH) | 128.05 |
| 7e (CH) | 132.66 |
| 7f (CH) | 128.05 |
| 7g (CH) | 129.41 |
