Spektraris NMR
b-D-Glucopyranosyl-8(17),13-ent-labdadien-16,15-olid-18-oate
Common Name: b-D-Glucopyranosyl-8(17),13-ent-labdadien-16,15-olid-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-14-5-8-18-25(2,16(14)7-6-15-9-12-33-22(15)31)10-4-11-26(18,3)24(32)35-23-21(30)20(29)19(28)17(13-27)34-23/h9,16-21,23,27-30H,1,4-8,10-13H2,2-3H3/t16-,17+,18+,19+,20-,21+,23-,25+,26+/m1/s1
InChIKey: InChIKey=WWMGXPVENJOYMP-SZLPZADDSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Waridel, P., Wolfender, J.L., Lachavanne, J.B., Hostettmann, K. Phytochemistry (2004) 65, 945-54
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) | 39.2 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 37.7 |
| 4 (C) | 49 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 27.8 |
| 7 (CH2) | 38.8 |
| 8 (C) | 149.1 |
| 9 (CH) | 57.7 |
| 10 (C) | 40 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 25.4 |
| 13 (C) | 134.8 |
| 14 (CH) | 147.6 |
| 15 (CH2) | 72.1 |
| 16 (C) | 177 |
| 17 (CH2) | 107.7 |
| 18 (C) | 178.9 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 15.2 |
| 1' (CH) | 96.1 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.4 |
