Spektraris NMR
Khayanone
Common Name: Khayanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O9/c1-24(2)19(18(29)23(32)34-5)26(4)15-6-8-25(3)16(27(15,33)11-14(20(24)30)21(26)31)10-17(28)36-22(25)13-7-9-35-12-13/h7,9,12,14-16,18-19,22,29,33H,6,8,10-11H2,1-5H3/t14?,15-,16-,18-,19+,22+,25-,26-,27-/m1/s1
InChIKey: InChIKey=GKXWKJLURBIZRZ-CDPZNQCSSA-N
Formula: C27H34O9
Molecular Weight: 502.554499
Exact Mass: 502.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakatani, M., Abdelgaleil, S.A., Kurawaki, J., Okamura, H., Iwagawa, T., Doe, M. J Nat Prod (2001) 64, 1261-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 212.1 |
| 2 (CH) | 54.3 |
| 3 (C) | 213.6 |
| 4 (C) | 50.3 |
| 5 (CH) | 46.3 |
| 6 (CH) | 71 |
| 7 (C) | 175.3 |
| 8 (C) | 73.8 |
| 9 (CH) | 61.8 |
| 10 (C) | 50.3 |
| 11 (CH2) | 22.8 |
| 12 (CH2) | 35.1 |
| 13 (C) | 35.6 |
| 14 (CH) | 51.7 |
| 15 (CH2) | 27 |
| 16 (C) | 169.9 |
| 17 (CH) | 76.7 |
| 18 (CH3) | 23.7 |
| 19 (CH3) | 24.5 |
| 20 (C) | 121 |
| 21 (CH) | 141.2 |
| 22 (CH) | 110 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 23.9 |
| 29 (CH3) | 24.5 |
| 30 (CH2) | 39.5 |
| 7a (CH3) | 53.3 |
