Spektraris NMR
Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
![Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate](/nmr/static/nmr/svg/12857.svg)
Common Name: Methyl (4aS,6R,6aR,9R,10aS,10bS)-2-(3-furyl)-6-(β-D-glucopyranosyloxy)-9-hydroxy-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O12/c1-26-9-16(12-4-5-36-11-12)37-24(34)14(26)8-19(39-25-22(32)21(31)20(30)17(10-28)38-25)27(2)15(23(33)35-3)6-13(29)7-18(26)27/h4-6,11,13-14,16-22,25,28-32H,7-10H2,1-3H3/t13-,14+,16?,17+,18-,19+,20+,21-,22+,25-,26+,27-/m0/s1
InChIKey: InChIKey=XUOAZZCHOKUHCF-YMUPWNEFSA-N
Formula: C27H36O12
Molecular Weight: 552.568595
Exact Mass: 552.220677
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Martin, T.S., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1996) 42, 153-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.5 |
| 2 (CH) | 62.3 |
| 3 (CH) | 140.5 |
| 4 (C) | 137.5 |
| 5 (C) | 41 |
| 6 (CH) | 76.8 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 40.5 |
| 9 (C) | 36.6 |
| 10 (CH) | 49.3 |
| 11 (CH2) | 44.1 |
| 12 (CH) | 70.1 |
| 13 (C) | 124.6 |
| 14 (CH) | 109.3 |
| 15 (CH) | 143.9 |
| 16 (CH) | 140.4 |
| 17 (C) | 174.8 |
| 18 (C) | 167.6 |
| 19 (CH3) | 28.5 |
| 20 (CH3) | 22.9 |
| 1' (CH) | 104.8 |
| 2' (CH) | 74 |
| 3' (CH) | 77.5 |
| 4' (CH) | 69.5 |
| 5' (CH) | 76.7 |
| 6' (CH2) | 61.1 |
| 18a (CH3) | 51.8 |
