Spektraris NMR
19-O-[β-D-apiofuranosyl(1-->2)-β-D-glucopyranoyl]-3,14-dideoxyandrographolide
![19-O-[β-D-apiofuranosyl(1-->2)-β-D-glucopyranoyl]-3,14-dideoxyandrographolide](/nmr/static/nmr/svg/15895.svg)
Common Name: 19-O-[β-D-apiofuranosyl(1-->2)-β-D-glucopyranoyl]-3,14-dideoxyandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O12/c1-17-5-8-21-29(2,10-4-11-30(21,3)19(17)7-6-18-9-12-39-26(18)37)15-40-27-24(23(35)22(34)20(13-32)42-27)43-28-25(36)31(38,14-33)16-41-28/h9,19-25,27-28,32-36,38H,1,4-8,10-16H2,2-3H3/t19-,20-,21-,22-,23+,24-,25-,27-,28-,29+,30+,31+/m1/s1
InChIKey: InChIKey=OOQRHGBPHULERW-NJHROWNOSA-N
Formula: C31H48O12
Molecular Weight: 612.706828
Exact Mass: 612.314577
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shen, Y.H., Li, R.T., Xiao, W.L., Xu, G., Lin, Z.W., Zhao, Q.S., Sun, H.D. J Nat Prod (2006) 69, 319-22
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) | 38.9 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 35.9 |
| 4 (C) | 38.5 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.4 |
| 8 (C) | 148.3 |
| 9 (CH) | 56.5 |
| 10 (C) | 39.6 |
| 11 (CH2) | 22 |
| 12 (CH2) | 24.9 |
| 13 (C) | 134.2 |
| 14 (CH) | 145.5 |
| 15 (CH2) | 70.5 |
| 16 (C) | 174.5 |
| 17 (CH2) | 107.1 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 71.9 |
| 20 (CH3) | 15.4 |
| 1' (CH) | 103.8 |
| 2' (CH) | 78.7 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 110.9 |
| 2'' (CH) | 78 |
| 3'' (C) | 80.7 |
| 4'' (CH2) | 75.7 |
| 5'' (CH2) | 66.3 |
