Spektraris NMR
Andropanolide
Common Name: Andropanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=BOJKULTULYSRAS-GDEURUARSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pramanick, S., Banerjee, S., Achari, B., Das, B., Sen, A.K., Sr., Mukhopadhyay, S., Neuman, A., Prange, T. J Nat Prod (2006) 69, 403-5
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) | 39 |
| 2 (CH2) | 30.7 |
| 3 (CH) | 81.6 |
| 4 (C) | 44.9 |
| 5 (CH) | 58.4 |
| 6 (CH2) | 25.36 |
| 7 (CH2) | 40 |
| 8 (C) | 149.9 |
| 9 (CH) | 57.1 |
| 10 (C) | 41.1 |
| 11 (CH2) | 26.2 |
| 12 (CH) | 150.1 |
| 13 (C) | 131.5 |
| 14 (CH) | 70.8 |
| 15 (CH2) | 76 |
| 16 (C) | 171.6 |
| 17 (CH2) | 109.8 |
| 18 (CH3) | 25.42 |
| 19 (CH2) | 65.9 |
| 20 (CH3) | 17 |
