Spektraris NMR
Hugonone B
Common Name: Hugonone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O6/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/h17,19-20,22,26-28,37,41-42H,9-16H2,1-8H3/t19-,20-,22+,26+,27-,28+,32-,33-,34-,35+,36?/m0/s1
InChIKey: InChIKey=PQWZTIFQLLOKAH-MEBVCHLNSA-N
Formula: C36H50O6
Molecular Weight: 578.77996
Exact Mass: 578.360739
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) | 33.7 |
| 2 (CH2) | 34.1 |
| 3 (C) | 216.4 |
| 4 (C) | 47.3 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 30.6 |
| 8 (C) | 140.5 |
| 9 (C) | 137.5 |
| 10 (C) | 37 |
| 11 (CH) | 57.5 |
| 12 (C) | 212.3 |
| 13 (C) | 71.7 |
| 14 (CH) | 49.3 |
| 15 (CH3) | 26 |
| 18 (CH3) | 26 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 19.6 |
| 1' (CH2) | 30.2 |
| 2' (CH2) | 25.5 |
| 3' (CH) | 74.8 |
| 4' (C) | 38.4 |
| 5' (CH) | 35.2 |
| 6' (CH2) | 16 |
| 7' (CH2) | 30.3 |
| 8' (C) | 47.3 |
| 9' (C) | 172.7 |
| 10' (C) | 41.7 |
| 11' (CH) | 120 |
| 12' (C) | 201 |
| 13' (C) | 74.1 |
| 14' (CH) | 47.7 |
| 15' (CH3) | 32.3 |
| 18' (CH3) | 27.6 |
| 19' (CH3) | 21.6 |
| 20' (CH3) | 26.4 |
