Common Name: 7α-Hydroxy-14-deoxyandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-14(5-4-13-7-9-25-18(13)24)19(2)8-6-17(23)20(3,11-21)16(19)10-15(12)22/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=KNCLIXUHDVRNQB-XWIHJEQYSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, L.X., Zhu, H.J., Wang, R., Zhou, K.L., Jing, Y.K., Qiu, F. J Nat Prod (2008) 71, 852-5
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) | 37.2 |
2 (CH2) | 29.1 |
3 (CH) | 79.9 |
4 (C) | 43.2 |
5 (CH) | 53.2 |
6 (CH2) | 34.7 |
7 (CH) | 73.6 |
8 (C) | 151.4 |
9 (CH) | 54.6 |
10 (C) | 39.2 |
11 (CH2) | 22.3 |
12 (CH2) | 24.8 |
13 (C) | 134.1 |
14 (CH) | 145.5 |
15 (CH2) | 70.7 |
16 (C) | 174.7 |
17 (CH2) | 104.2 |
18 (CH3) | 23.8 |
19 (CH2) | 64.3 |
20 (CH3) | 15.5 |