Spektraris NMR
Chirat-16-en-3-one
Common Name: Chirat-16-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-25(2)17-18-27(5)20(19-25)11-15-29(7)22(27)9-10-23-28(6)14-13-24(31)26(3,4)21(28)12-16-30(23,29)8/h11,21-23H,9-10,12-19H2,1-8H3/t21-,22+,23+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=DHEZBSKKDBWIDN-AHNCAJPUSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kakuda, R., Iijima, T., Yaoita, Y., Machida, K., Kikuchi, M. Phytochemistry (2002) 59, 791-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Stictanes; 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) | 39.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 218.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.1 |
| 8 (C) | 41 |
| 9 (CH) | 50 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22 |
| 12 (CH2) | 23.4 |
| 13 (CH) | 45.3 |
| 14 (C) | 40.5 |
| 15 (CH2) | 32.9 |
| 16 (CH) | 119.9 |
| 17 (C) | 139.2 |
| 18 (C) | 36.9 |
| 19 (CH2) | 38.3 |
| 20 (CH2) | 35.2 |
| 21 (C) | 32.5 |
| 22 (CH2) | 46.2 |
| 23 (CH3) | 26.8 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 32.4 |
| 30 (CH3) | 24.6 |
