Spektraris NMR
ent-14-Labden-8-ol-13α-O-β-D-glucopyranoside
Common Name: ent-14-Labden-8-ol-13α-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H46O7/c1-7-24(4,33-22-21(30)20(29)19(28)16(15-27)32-22)13-9-18-25(5)12-8-11-23(2,3)17(25)10-14-26(18,6)31/h7,16-22,27-31H,1,8-15H2,2-6H3/t16-,17-,18+,19-,20+,21-,22+,24+,25-,26-/m1/s1
InChIKey: InChIKey=YMTHEQVUAPPTJS-NMZHYCMMSA-N
Formula: C26H46O7
Molecular Weight: 470.640242
Exact Mass: 470.324354
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Socolsky, C., Asakawa, Y., Bardon, A. J Nat Prod (2007) 70, 1837-45
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 40.7 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 43.3 |
| 4 (C) | 34 |
| 5 (CH) | 57.5 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 43.1 |
| 8 (C) | 74 |
| 9 (CH) | 60.8 |
| 10 (C) | 40.4 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 46.6 |
| 13 (C) | 82.1 |
| 14 (CH) | 144.6 |
| 15 (CH2) | 116.1 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 31.1 |
| 18 (CH3) | 34.2 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 15.7 |
| 1' (CH) | 99.5 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.7 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 62.8 |
