Spektraris NMR
23-Oxo-isotingenone
Common Name: 23-Oxo-isotingenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O4/c1-16-12-23-25(2,14-22(16)31)10-11-28(5)26(3)8-6-17-18(20(26)7-9-27(23,28)4)13-21(30)24(32)19(17)15-29/h6-8,13,15-16,23,30,32H,9-12,14H2,1-5H3/t16-,23-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=ZIHMKXOMCSCWJB-AHRBEJICSA-N
Formula: C28H34O4
Molecular Weight: 434.56821
Exact Mass: 434.24571
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Chavez, H., Estevez-Braun, A., Ravelo, A.G., Gonzalez, A.G. J Nat Prod (1999) 62, 434-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 118.22 |
| 2 (C) | 143.83 |
| 3 (C) | 148.3 |
| 4 (C) | 114.18 |
| 5 (C) | 140.79 |
| 6 (CH) | 142.95 |
| 7 (CH) | 115.59 |
| 8 (C) | 44.03 |
| 9 (C) | 129.32 |
| 10 (C) | 126.8 |
| 11 (CH) | 124.74 |
| 12 (CH2) | 32.37 |
| 13 (C) | 39.99 |
| 14 (C) | 40.76 |
| 15 (CH2) | 23.98 |
| 16 (CH2) | 35.74 |
| 17 (C) | 39.13 |
| 18 (CH) | 42.32 |
| 19 (CH2) | 37.41 |
| 20 (CH) | 45.66 |
| 21 (C) | 214.4 |
| 22 (CH2) | 51.05 |
| 23 (CH) | 196.11 |
| 25 (CH3) | 22.67 |
| 26 (CH3) | 20.42 |
| 27 (CH3) | 19.51 |
| 28 (CH3) | 31.41 |
| 30 (CH3) | 15.33 |
