Spektraris NMR
12S,13S-Hydroxyan-drographolide
Common Name: 12S,13S-Hydroxyan-drographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(23)20(15,3)10-21)13(11)9-14(22)12-8-17(24)26-18(12)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=GNWQVVISWOLAET-OECGOHCASA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
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) | 29.1 |
| 3 (CH) | 80 |
| 4 (C) | 43.3 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 39.1 |
| 8 (C) | 148.7 |
| 9 (CH) | 51.7 |
| 10 (C) | 38.9 |
| 11 (CH2) | 30.2 |
| 12 (CH) | 66.3 |
| 13 (CH) | 51.7 |
| 14 (CH2) | 69.6 |
| 15 (CH) | 75.4 |
| 16 (C) | 178.4 |
| 17 (CH2) | 107.7 |
| 18 (CH3) | 23.8 |
| 19 (CH2) | 64.3 |
| 20 (CH3) | 15.8 |
