Spektraris NMR
7β-Hydroxy-14-deoxyandrographolide
Common Name: 7β-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-UQZPWQSVSA-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) | 37.4 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 80.2 |
| 4 (C) | 42.9 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 32 |
| 7 (CH) | 73.1 |
| 8 (C) | 151.1 |
| 9 (CH) | 50.5 |
| 10 (C) | 39.7 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 24.6 |
| 13 (C) | 134.1 |
| 14 (CH) | 145.6 |
| 15 (CH2) | 70.7 |
| 16 (C) | 174.7 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 23.7 |
| 19 (CH2) | 64.5 |
| 20 (CH3) | 14.6 |
