Spektraris NMR
1,6-di-O-acetylforskolin
Common Name: 1,6-di-O-acetylforskolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-10-23(7)13-17(30)26(31)24(8)18(32-14(2)27)11-12-22(5,6)20(24)19(33-15(3)28)21(34-16(4)29)25(26,9)35-23/h10,18-21,31H,1,11-13H2,2-9H3/t18-,19-,20-,21-,23-,24-,25+,26-/m0/s1
InChIKey: InChIKey=UVRUOGMAOOKEHN-XMGVQCCFSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rijo, P., Simoes, M.F., Rodriguez, B. Magn Reson Chem (2005) 43, 595-8
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 (CH) | 73.94 |
| 2 (CH2) | 23.11 |
| 3 (CH2) | 37 |
| 4 (C) | 33.84 |
| 5 (CH) | 43 |
| 6 (CH) | 69.36 |
| 7 (CH) | 76.57 |
| 8 (C) | 81.65 |
| 9 (C) | 81.44 |
| 10 (C) | 43.44 |
| 11 (C) | 205.26 |
| 12 (CH2) | 48.74 |
| 13 (C) | 75.7 |
| 15 (CH) | 145.83 |
| 16 (CH2) | 110.38 |
| 17 (CH3) | 31 |
| 18 (CH3) | 23.22 |
| 19 (CH3) | 32.69 |
| 20 (CH3) | 23.39 |
| 21 (CH3) | 19.64 |
| 1a (C) | 168.4 |
| 1b (CH3) | 21.74 |
| 6a (C) | 169.87 |
| 6b (CH3) | 21.44 |
| 7a (C) | 169.87 |
| 7b (CH3) | 20.82 |
