Spektraris NMR
Triflora Lactone
Common Name: Triflora Lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O6/c1-15-13-18-25(4,22(32)20(15)30)10-12-26(5)17-7-8-28-16(2)21(31)29(34,35-23(28)33)14-19(28)24(17,3)9-11-27(18,26)6/h15-19,21-22,31-32,34H,7-14H2,1-6H3/t15-,16+,17+,18-,19+,21+,22-,24-,25-,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=DDSUXOSBBBFBGQ-XRPVFQQXSA-N
Formula: C29H44O6
Molecular Weight: 488.657164
Exact Mass: 488.313789
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wang, K.W., Zhang, H., Pan, Y.J. Helv Chim Acta (2007) 90, 277-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 26.9 |
| 2 (C) | 105 |
| 3 (CH) | 77.1 |
| 4 (CH) | 47.7 |
| 5 (C) | 44.6 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 18.6 |
| 8 (CH) | 48.1 |
| 9 (C) | 37.5 |
| 10 (CH) | 52.1 |
| 11 (CH2) | 33.3 |
| 12 (CH2) | 28.8 |
| 13 (C) | 40.2 |
| 14 (C) | 39.1 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.6 |
| 17 (C) | 44.8 |
| 18 (CH) | 45.6 |
| 19 (CH2) | 31.7 |
| 20 (CH) | 41.5 |
| 21 (C) | 213.9 |
| 22 (CH) | 77.4 |
| 23 (CH3) | 16.1 |
| 24 (C) | 175.3 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 19.3 |
| 28 (CH3) | 26.1 |
| 30 (CH3) | 15.6 |
