Spektraris NMR
Salvianduline D
Common Name: Salvianduline D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-16-11-19(13-5-9-22-10-13)24-17(16,2)7-8-18-12-23-15(21)14(18)4-3-6-20(16,18)25-19/h4-5,9-10H,3,6-8,11-12H2,1-2H3/t16-,17-,18+,19?,20-/m0/s1
InChIKey: InChIKey=IKGPSNRNLXDJGY-BYDNXPSSSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Flores, M.D., Salazar, B., Ortega, A. Phytochemistry (1994) 37, 1480-2
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) | 27.7 |
| 2 (CH2) | 22.3 |
| 3 (CH) | 136.4 |
| 4 (C) | 136.9 |
| 5 (C) | 46.6 |
| 6 (CH2) | 22 |
| 7 (CH2) | 29.7 |
| 8 (C) | 83.3 |
| 9 (C) | 50.9 |
| 10 (C) | 81.9 |
| 11 (CH2) | 45.2 |
| 12 (C) | 102.5 |
| 13 (C) | 121.9 |
| 14 (CH) | 108.7 |
| 15 (CH) | 143 |
| 16 (CH) | 140.3 |
| 17 (CH3) | 24.9 |
| 18 (C) | 168.7 |
| 19 (CH2) | 70.7 |
| 20 (CH3) | 10.5 |
