Spektraris NMR
14-Deoxyandrographolide-3-O-sulfate
Common Name: 14-Deoxyandrographolide-3-O-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O7S/c1-13-4-7-16-19(2,15(13)6-5-14-9-11-26-18(14)22)10-8-17(20(16,3)12-21)27-28(23,24)25/h9,15-17,21H,1,4-8,10-12H2,2-3H3,(H,23,24,25)/t15-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=BCVNNJVVLOBWDE-YSDSKTICSA-N
Formula: C20H30O7S1
Molecular Weight: 414.51486
Exact Mass: 414.171224
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Cui, L., Qiu, F., Wang, N., Yao, X. Chem Pharm Bull (2004) 52, 772-5
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) | 38.1 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 88 |
| 4 (C) | 44.4 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 25.9 |
| 7 (CH2) | 39.4 |
| 8 (C) | 148.8 |
| 9 (CH) | 57.1 |
| 10 (C) | 40.1 |
| 11 (CH2) | 23.1 |
| 12 (CH2) | 25.3 |
| 13 (C) | 134.8 |
| 14 (CH) | 147.6 |
| 15 (CH2) | 72 |
| 16 (C) | 176.9 |
| 17 (CH2) | 107.5 |
| 18 (CH3) | 23.2 |
| 19 (CH2) | 63.8 |
| 20 (CH3) | 15.1 |
