Spektraris NMR
Dubione A
Common Name: Dubione A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)23-10-8-19(26(32)33-23)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h19-24H,1,8-17H2,2-7H3/t19-,20+,21+,22-,23-,24+,28-,29+,30-/m1/s1
InChIKey: InChIKey=XYOBMERFBBFPAO-BELIIWOZSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Numata, A., Iwamoto, C., Morito, H., Yamada, T., Goswami, A., Clewlow, P.J., Cragg, G.M., Schmidt, J.M. J Nat Prod (2002) 65, 1886-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 38.5 |
| 2 (CH2) | 34.9 |
| 3 (C) | 216.7 |
| 4 (C) | 47.9 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 118.8 |
| 8 (CH) | 144.6 |
| 9 (CH) | 48.1 |
| 10 (C) | 35 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 33.8 |
| 13 (C) | 46.2 |
| 14 (C) | 49.4 |
| 15 (CH2) | 44.1 |
| 16 (CH2) | 77.6 |
| 17 (CH) | 58.8 |
| 18 (CH3) | 23 |
| 19 (CH3) | 12.8 |
| 20 (CH) | 44.4 |
| 21 (C) | 176.3 |
| 22 (CH2) | 25.3 |
| 23 (CH2) | 27.4 |
| 24 (CH) | 83.8 |
| 25 (C) | 142.7 |
| 26 (CH2) | 113 |
| 27 (CH3) | 18 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 28 |
