Spektraris NMR
(3aR,6abeta,9abeta,9balpha)-3,6,9-Tris(methylene)-4beta-(beta-D-glucopyranosyloxy)-8alpha-hydroxydecahydroazuleno[4,5-b]furan-2(3H)-one
![(3aR,6abeta,9abeta,9balpha)-3,6,9-Tris(methylene)-4beta-(beta-D-glucopyranosyloxy)-8alpha-hydroxydecahydroazuleno[4,5-b]furan-2(3H)-one](/nmr/static/nmr/svg/10361.svg)
Common Name: (3aR,6abeta,9abeta,9balpha)-3,6,9-Tris(methylene)-4beta-(beta-D-glucopyranosyloxy)-8alpha-hydroxydecahydroazuleno[4,5-b]furan-2(3H)-one
Synonyms: (3aR,6abeta,9abeta,9balpha)-3,6,9-Tris(methylene)-4beta-(beta-D-glucopyranosyloxy)-8alpha-hydroxydecahydroazuleno[4,5-b]furan-2(3H)-one
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h10-19,21-26H,1-6H2/t10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1
InChIKey: InChIKey=YWRYYBZVPGQDQS-BHFRCIHZSA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, C.Z., Yu, D.Q. Phytochemistry (1997) 45, 1483-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 46.3 |
| 2 (CH2) | 42.9 |
| 3 (CH) | 67 |
| 4 (C) | 150.9 |
| 5 (CH) | 52.1 |
| 6 (CH) | 79.7 |
| 7 (CH) | 50.6 |
| 8 (CH) | 81.4 |
| 9 (CH2) | 38.8 |
| 10 (C) | 145.3 |
| 11 (C) | 137.6 |
| 12 (C) | 172.2 |
| 13 (CH2) | 122.5 |
| 14 (CH2) | 117 |
| 15 (CH2) | 113.3 |
| 1' (CH) | 104.9 |
| 2' (CH) | 75.2 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.8 |
| 6' (CH2) | 62.1 |
