Spektraris NMR
Methyl (5R,11S,17S)-17-acetoxy-3-hydroxy-11-isopropenyl-13-methoxy-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1,8,14-triene-14-carboxylate
![Methyl (5R,11S,17S)-17-acetoxy-3-hydroxy-11-isopropenyl-13-methoxy-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1,8,14-triene-14-carboxylate](/nmr/static/nmr/svg/17913.svg)
Common Name: Methyl (5R,11S,17S)-17-acetoxy-3-hydroxy-11-isopropenyl-13-methoxy-3-methyl-7-oxo-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1,8,14-triene-14-carboxylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O9/c1-13(2)15-7-8-17-20(31-14(3)25)19(32-21(17)26)12-23(4,28)11-16-9-18(22(27)29-5)24(10-15,30-6)33-16/h8-9,11,15,19-20,28H,1,7,10,12H2,2-6H3/b16-11-,17-8+/t15-,19+,20-,23?,24?/m0/s1
InChIKey: InChIKey=VHZXGBMYLQSTOY-XJPFIJFXSA-N
Formula: C24H30O9
Molecular Weight: 462.490528
Exact Mass: 462.188983
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kamel, H.N., Ferreira, D., Garcia-Fernandez, L.F., Slattery, M. J Nat Prod (2007) 70, 1223-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 41.3 |
| 2 (CH2) | 38.9 |
| 3 (C) | 117.3 |
| 4 (C) | 131.6 |
| 5 (CH) | 139.7 |
| 6 (C) | 150.6 |
| 7 (CH) | 117.6 |
| 8 (C) | 71.4 |
| 9 (CH2) | 41.1 |
| 10 (CH) | 79.3 |
| 11 (CH) | 76.5 |
| 12 (C) | 128.4 |
| 13 (CH) | 148.4 |
| 14 (CH2) | 32.8 |
| 15 (C) | 148.1 |
| 16 (CH2) | 113.1 |
| 17 (CH3) | 18.7 |
| 18 (C) | 162.3 |
| 19 (CH3) | 30.8 |
| 20 (C) | 167.5 |
| 3a (CH3) | 50 |
| 11a (C) | 170.2 |
| 11b (CH3) | 20.5 |
| 18a (CH3) | 51.3 |
