Spektraris NMR
Zeorinone
Common Name: Zeorinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-20,22-24,32H,9-18H2,1-8H3/t19-,20-,22+,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=MAVUFYZBQWGXHD-DDQAQDJJSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Elix J.A., Gaul K.L., Moberg R. Aust J Chem (1989) 42, 1415
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 41.1 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42.8 |
| 4 (C) | 32.6 |
| 5 (CH) | 66.5 |
| 6 (C) | 214 |
| 7 (CH2) | 51.7 |
| 8 (C) | 48.5 |
| 9 (CH) | 50.9 |
| 10 (C) | 44.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.8 |
| 14 (C) | 42.4 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 22 |
| 17 (CH) | 54.2 |
| 18 (C) | 44.1 |
| 19 (CH2) | 41.5 |
| 20 (CH2) | 26.8 |
| 21 (CH) | 51.2 |
| 22 (C) | 73.8 |
| 23 (CH3) | 32.7 |
| 24 (CH3) | 22 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 17 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 29 |
| 30 (CH3) | 31.2 |
