Spektraris NMR
Opigenin
Common Name: Opigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-20(2)32-17-23-22-9-10-25-28(6)13-12-26(35-21(3)33)27(4,5)24(28)11-14-30(25,8)29(22,7)15-16-31(23,18-32)19-34-32/h20,22-26H,9-19H2,1-8H3/t22-,23-,24+,25-,26+,28+,29-,30-,31+,32-/m1/s1
InChIKey: InChIKey=CTVXADHMZNDPFJ-PDGJXCANSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Druet D., Comeau L., Zahra J.P. Can J Chem (1986) 64, 295
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 23.7 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.7 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 39.7 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 34.9 |
| 17 (C) | 31.7 |
| 18 (CH) | 47.1 |
| 19 (CH2) | 25.4 |
| 20 (CH) | 42.4 |
| 21 (C) | 72.2 |
| 22 (CH2) | 29.8 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.2 |
| 28 (CH2) | 69 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 24.8 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
