Spektraris NMR
(23E)-25-hydroperoxycycloart-23-en-3-one
Common Name: (23E)-25-hydroperoxycycloart-23-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-20(9-8-14-25(2,3)33-32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-23,32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=MDHVJGUHUPBQNC-DYWBVCMMSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cabrera, G.M., Gallo, M., Seldes, A.M. J Nat Prod (1996) 59, 343-7
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) | 33.4 |
| 2 (CH2) | 37.4 |
| 3 (C) | 216.5 |
| 4 (C) | 50.2 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 47.8 |
| 9 (C) | 21.1 |
| 10 (C) | 26 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.4 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 39.3 |
| 23 (CH) | 130.6 |
| 24 (CH) | 134.5 |
| 25 (C) | 82.3 |
| 26 (CH3) | 24.4 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 20.8 |
| 29 (CH3) | 19.3 |
| 30 (CH3) | 22.2 |
