Spektraris NMR
Didehydrosalvinorin G
Common Name: Didehydrosalvinorin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7-8,10,12,15,23H,4,6,9H2,1-3H3/t12-,15-,20-,21-/m0/s1
InChIKey: InChIKey=OPLXQVGNZSCNEK-WAQNEXLBSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, Z., Lee, D.Y.W. Tetrahedron Lett (2008) 49, 1782-5
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 (C) | 145.3 |
| 2 (C) | 180.9 |
| 3 (CH) | 127.6 |
| 4 (C) | 159 |
| 5 (C) | 43.3 |
| 6 (CH2) | 32 |
| 7 (CH2) | 18.1 |
| 8 (CH) | 50.6 |
| 9 (C) | 39.4 |
| 10 (C) | 138.5 |
| 11 (CH2) | 42.4 |
| 12 (CH) | 71.5 |
| 13 (C) | 126 |
| 14 (CH) | 108.6 |
| 15 (CH) | 143.8 |
| 16 (CH) | 139.4 |
| 17 (C) | 171.6 |
| 18 (C) | 166 |
| 19 (CH3) | 31.3 |
| 20 (CH3) | 18.8 |
| 18a (CH3) | 52.7 |
