7α-Hydroxy-14-deoxyandrographolide

7α-Hydroxy-14-deoxyandrographolide

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)

Carbon NMR Peaks

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