Spektraris NMR
Hugonone A
Common Name: Hugonone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H52O6/c1-30(2)19-10-9-18-25(33(19,6)15-13-23(30)38)27-29(40)35(8,42)26(18)28-34(7,41)24(39)17-21-32(5)14-12-22(37)31(3,4)20(32)11-16-36(21,27)28/h17,19-20,22-23,26-28,37-38,41-42H,9-16H2,1-8H3/t19-,20-,22+,23-,26+,27-,28+,32-,33-,34-,35+,36?/m0/s1
InChIKey: InChIKey=AHKAJNLWAZYDIO-IZXDNTFHSA-N
Formula: C36H52O6
Molecular Weight: 580.795841
Exact Mass: 580.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mdee, L.K., Waibel, R., Nkunya, M.H.H., Jonker, S.A., Achenbach, H. Phytochemistry (1998) 49, 1107-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 28.1 |
| 2 (CH2) | 25 |
| 3 (CH) | 75.6 |
| 4 (C) | 37.4 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 29.9 |
| 8 (C) | 139.2 |
| 9 (C) | 139.4 |
| 10 (C) | 37.1 |
| 11 (CH) | 57 |
| 12 (C) | 219.9 |
| 13 (C) | 71.8 |
| 14 (CH) | 48.9 |
| 15 (CH3) | 25.9 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 20.4 |
| 1' (CH2) | 29.9 |
| 2' (CH2) | 25.4 |
| 3' (CH) | 75 |
| 4' (C) | 38.4 |
| 5' (CH) | 35.1 |
| 6' (CH2) | 16 |
| 7' (CH2) | 30.5 |
| 8' (C) | 47.8 |
| 9' (C) | 172.9 |
| 10' (C) | 41.7 |
| 11' (CH) | 119.9 |
| 12' (C) | 201 |
| 13' (C) | 74.1 |
| 14' (CH) | 47.6 |
| 15' (CH3) | 32.4 |
| 18' (CH3) | 27.6 |
| 19' (CH3) | 21.6 |
| 20' (CH3) | 26.4 |
