Spektraris NMR
1,6-di-O-acetyl-9-deoxyforskolin
Common Name: 1,6-di-O-acetyl-9-deoxyforskolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-10-24(7)13-17(30)20-25(8)18(31-14(2)27)11-12-23(5,6)21(25)19(32-15(3)28)22(33-16(4)29)26(20,9)34-24/h10,18-22H,1,11-13H2,2-9H3/t18-,19-,20+,21-,22-,24-,25+,26-/m0/s1
InChIKey: InChIKey=DCALPWFJQOAZCX-LFLIQQJDSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
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) | 74.78 |
| 2 (CH2) | 21.61 |
| 3 (CH2) | 36.74 |
| 4 (C) | 33.77 |
| 5 (CH) | 47.23 |
| 6 (CH) | 69.24 |
| 7 (CH) | 78.51 |
| 8 (C) | 77.21 |
| 9 (CH) | 57.32 |
| 10 (C) | 40.62 |
| 11 (C) | 205.21 |
| 12 (CH2) | 49.01 |
| 13 (C) | 74.61 |
| 15 (CH) | 146.3 |
| 16 (CH2) | 112.89 |
| 17 (CH3) | 31.8 |
| 18 (CH3) | 24.03 |
| 19 (CH3) | 32.63 |
| 20 (CH3) | 22.91 |
| 21 (CH3) | 17.25 |
| 1a (C) | 169.88 |
| 1b (CH3) | 21.33 |
| 6a (C) | 169.45 |
| 6b (CH3) | 20.33 |
| 7a (C) | 170.35 |
| 7b (CH3) | 21.93 |
