Common Name: 14-Deoxy-12-(cysteine-S-yl)-andrographolide-3-O-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H35NO9S2/c1-13-4-5-18-22(2,8-6-19(23(18,3)12-25)33-35(29,30)31)15(13)10-17(14-7-9-32-21(14)28)34-11-16(24)20(26)27/h7,15-19,25H,1,4-6,8-12,24H2,2-3H3,(H,26,27)(H,29,30,31)/t15-,16?,17?,18+,19-,22+,23+/m1/s1
InChIKey: InChIKey=FCGIDOPVPHRWRP-GLMFWXDDSA-N
Formula: C23H35N1O9S2
Molecular Weight: 533.658409
Exact Mass: 533.175323
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)
Position | PPM |
---|---|
1 (CH2) | 37.9 |
2 (CH2) | 25.8 |
3 (CH) | 87.8 |
4 (C) | 44.4 |
5 (CH) | 57 |
6 (CH2) | 25.8 |
7 (CH2) | 39.4 |
8 (C) | 148.7 |
9 (CH) | 54.5 |
10 (C) | 40 |
11 (CH2) | 29.1 |
12 (CH) | 41.7 |
13 (C) | 135.3 |
14 (CH) | 149 |
15 (CH2) | 72.1 |
16 (C) | 175.1 |
17 (CH2) | 108.1 |
18 (CH3) | 23.3 |
19 (CH2) | 63.8 |
20 (CH3) | 15.4 |
12a (CH2) | 33.4 |
12b (CH) | 55.6 |
12c (C) | 171.5 |