Spektraris NMR
16-Acetoxycoleon U 11-acetate
Common Name: 16-Acetoxycoleon U 11-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-11(10-31-12(2)25)14-17(27)15-16(21(19(14)29)32-13(3)26)24(6)9-7-8-23(4,5)22(24)20(30)18(15)28/h11,27,29-30H,7-10H2,1-6H3/t11?,24-/m1/s1
InChIKey: InChIKey=KSHBYAFCTIHCOD-RQEJEBGASA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mei, S.X., Jiang, B., Niu, X.M., Li, M.L., Yang, H., Na, Z., Lin, Z.W., Li, C.M., Sun, H.D. J Nat Prod (2002) 65, 633-7
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 (CH2) | 32.2 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 36.5 |
| 4 (C) | 36.8 |
| 5 (C) | 143.6 |
| 6 (C) | 142 |
| 7 (C) | 182.4 |
| 8 (C) | 105.9 |
| 9 (C) | 144.9 |
| 10 (C) | 41.3 |
| 11 (C) | 129.9 |
| 12 (C) | 153.8 |
| 13 (C) | 115.9 |
| 14 (C) | 160 |
| 15 (CH) | 29.1 |
| 16 (CH2) | 68.5 |
| 17 (CH3) | 14.9 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 27 |
| 20 (CH3) | 30.3 |
| 11a (C) | 170.9 |
| 11b (CH3) | 21.2 |
| 16a (C) | 169.2 |
| 16b (CH3) | 20.9 |
