Spektraris NMR
24(E)-ethylidenecycloartanone
Common Name: 24(E)-ethylidenecycloartanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25-28(5,6)27(33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h9,21-22,24-26H,10-20H2,1-8H3/b23-9+/t22-,24-,25+,26+,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=FSKNNTLHNILHKE-OHOXOBBWSA-N
Formula: C32H52O1
Molecular Weight: 452.755873
Exact Mass: 452.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Manoharan, K.P., Benny, T.K., Yang, D. Phytochemistry (2005) 66, 2304-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.3 |
| 2 (CH2) | 37.4 |
| 3 (C) | 216.4 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 47.8 |
| 9 (C) | 21 |
| 10 (C) | 25.9 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.3 |
| 14 (C) | 48.7 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.4 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 36.2 |
| 23 (CH2) | 28.2 |
| 24 (C) | 145.8 |
| 25 (CH) | 28.5 |
| 26 (CH3) | 21 |
| 27 (CH3) | 21 |
| 28 (CH3) | 22.1 |
| 29 (CH3) | 20.7 |
| 30 (CH3) | 19.2 |
| 24a (CH) | 116.4 |
| 24b (CH3) | 12.7 |
