Spektraris NMR
Aglycon
Common Name: Aglycon
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-11-13-7-14(21)16(2,3)20(13)15(22)9-18-8-12(17(4,23)10-18)5-6-19(11,18)24-20/h11-15,21-23H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=KBNHHERQRUTHKG-MOMJCFPOSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, L.Q., Chen, S.N., Qin, G.W., Cheng, K.F. J Nat Prod (1998) 61, 1473-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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 (CH) | 48.7 |
| 2 (CH2) | 32.3 |
| 3 (CH) | 85 |
| 4 (C) | 48.1 |
| 5 (C) | 95.9 |
| 6 (CH) | 68.6 |
| 7 (CH2) | 40.7 |
| 8 (C) | 46.7 |
| 9 (C) | 88.8 |
| 10 (CH) | 37.3 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 46.2 |
| 14 (CH2) | 40.3 |
| 15 (CH2) | 51.6 |
| 16 (C) | 79.7 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 19.5 |
| 20 (CH3) | 15.2 |
