Spektraris NMR
(6'-Acetyl) 19-B-D-glucopyranosyloxy-8(17),13-entlabdadien-15-->16-lactone
Common Name: (6'-Acetyl) 19-B-D-glucopyranosyloxy-8(17),13-entlabdadien-15-->16-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O9/c1-16-6-9-21-27(3,11-5-12-28(21,4)19(16)8-7-18-10-13-34-25(18)33)15-36-26-24(32)23(31)22(30)20(37-26)14-35-17(2)29/h10,19-24,26,30-32H,1,5-9,11-15H2,2-4H3/t19-,20-,21-,22-,23+,24-,26-,27+,28+/m1/s1
InChIKey: InChIKey=LIIMOJLTWWSQGN-HDWGBIQKSA-N
Formula: C28H42O9
Molecular Weight: 522.628761
Exact Mass: 522.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cangiano T., DellaGreca M., Fiorentino A., Isidori M., Monaco P., Zarrelli A. Phytochemistry (2001) 56, 469-73
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) | 40.8 |
| 2 (CH2) | 20.8 |
| 3 (CH2) | 35.1 |
| 4 (C) | 41.4 |
| 5 (CH) | 58.4 |
| 6 (CH2) | 25.2 |
| 7 (CH2) | 38.1 |
| 8 (C) | 149.9 |
| 9 (CH) | 58.3 |
| 10 (C) | 39.3 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 26.5 |
| 13 (C) | 138.6 |
| 14 (CH) | 148.1 |
| 15 (CH2) | 69.9 |
| 16 (C) | 174.1 |
| 17 (CH2) | 108.5 |
| 18 (CH3) | 28.9 |
| 19 (CH2) | 68.7 |
| 20 (CH3) | 16.6 |
| 1' (CH) | 104.7 |
| 2' (CH) | 75.9 |
| 3' (CH) | 79 |
| 4' (CH) | 72.4 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 63.6 |
| 6'b (C) | 174.1 |
| 6'c (CH3) | 20.8 |
