Spektraris NMR
Flindissone lactone
Common Name: Flindissone lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16,19-22,24H,9-15,17H2,1-7H3/t19?,20?,21-,22-,24-,28+,29-,30+/m0/s1
InChIKey: InChIKey=DITNSHOJORLTJT-XPGYTVSFSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guang Yi L., Gray A., Waterman P.G. Phytochemistry (1988) 27, 2283-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 31.1 |
| 2 (CH2) | 25.3 |
| 3 (C) | 76.1 |
| 4 (C) | 37.3 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 118.1 |
| 8 (C) | 145.5 |
| 9 (CH) | 48.5 |
| 10 (C) | 33.7 |
| 11 (CH2) | 17.2 |
| 12 (CH2) | 34.7 |
| 13 (C) | 43.6 |
| 14 (C) | 50.4 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 31 |
| 17 (CH) | 41.2 |
| 18 (CH3) | 12.8 |
| 19 (CH3) | 21.6 |
| 20 (CH) | 46.7 |
| 21 (C) | 178.5 |
| 22 (CH2) | 23.6 |
| 23 (CH) | 75 |
| 24 (CH) | 123.1 |
| 25 (C) | 139.3 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 23.3 |
| 30 (CH3) | 27.6 |
