Spektraris NMR
epi-cerin
Common Name: epi-cerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-23,31H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=DSEKYWAQQVUQTP-GNHDAJIMSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A. , Chaudhuri S. K. Magn Reson Chem (1987) 25, 95
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 32.5 |
| 2 (CH) | 75 |
| 3 (C) | 212 |
| 4 (CH) | 55.5 |
| 5 (C) | 43 |
| 6 (CH2) | 41.2 |
| 7 (CH2) | 18.1 |
| 8 (CH) | 53.1 |
| 9 (C) | 37.3 |
| 10 (CH) | 56.6 |
| 11 (CH2) | 35.6 |
| 12 (CH2) | 30.4 |
| 13 (C) | 39.7 |
| 14 (C) | 38.3 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 35.9 |
| 17 (C) | 29.9 |
| 18 (CH) | 42.8 |
| 19 (CH2) | 35.3 |
| 20 (C) | 28.2 |
| 21 (CH2) | 32.8 |
| 22 (CH2) | 39.2 |
| 23 (CH3) | 6.5 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 18 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 20.1 |
| 28 (CH3) | 32 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 34.9 |
