14-Deoxy-17-hydroxy-andrographolide

14-Deoxy-17-hydroxy-andrographolide

Common Name: 14-Deoxy-17-hydroxy-andrographolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O5/c1-19-9-7-17(23)20(2,12-22)16(19)6-4-14(11-21)15(19)5-3-13-8-10-25-18(13)24/h8,14-17,21-23H,3-7,9-12H2,1-2H3/t14-,15-,16+,17-,19+,20+/m1/s1

InChIKey: InChIKey=LMOGEODVJJLYGW-UQZPWQSVSA-N

Formula: C20H32O5

Molecular Weight: 352.465847

Exact Mass: 352.224974

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) 37.2
2 (CH2) 28.6
3 (CH) 80.3
4 (C) 43.1
5 (CH) 55.2
6 (CH2) 21.9
7 (CH2) 31.8
8 (CH) 42.4
9 (CH) 52.2
10 (C) 38
11 (CH2) 27.5
12 (CH2) 27.7
13 (C) 134.3
14 (CH) 145.6
15 (CH2) 70.7
16 (C) 174.8
17 (CH2) 64.9
18 (CH3) 23.7
19 (CH2) 64.5
20 (CH3) 15.1