Spektraris NMR
6-O-acetylforskolin
Common Name: 6-O-acetylforskolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-9-21(6)12-16(28)24(29)22(7)15(27)10-11-20(4,5)18(22)17(30-13(2)25)19(31-14(3)26)23(24,8)32-21/h9,15,17-19,27,29H,1,10-12H2,2-8H3/t15-,17-,18-,19-,21-,22-,23+,24-/m0/s1
InChIKey: InChIKey=ZSBZMJGJWOYRBW-JZLRHMRTSA-N
Formula: C24H36O8
Molecular Weight: 452.538768
Exact Mass: 452.241018
NMR Solvent: C5D5N
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) | 73.54 |
| 2 (CH2) | 27.06 |
| 3 (CH2) | 36.82 |
| 4 (C) | 34.23 |
| 5 (CH) | 42.61 |
| 6 (CH) | 70.08 |
| 7 (CH) | 75.54 |
| 8 (C) | 81.29 |
| 9 (C) | 82.74 |
| 10 (C) | 43.28 |
| 11 (C) | 206.82 |
| 12 (CH2) | 49.66 |
| 13 (C) | 75.83 |
| 15 (CH) | 147.54 |
| 16 (CH2) | 110.13 |
| 17 (CH3) | 30.8 |
| 18 (CH3) | 23.69 |
| 19 (CH3) | 32.74 |
| 20 (CH3) | 23.54 |
| 21 (CH3) | 20.07 |
| 6a (C) | 170.49 |
| 6b (CH3) | 21.28 |
| 7a (C) | 170.31 |
| 7b (CH3) | 20.95 |
