Spektraris NMR
Subtrifloralactone K
Common Name: Subtrifloralactone K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O9/c1-9-10(2)23(30)34-20(9)22-25(4,31)19-14-5-12-11-6-17-27(32)21(29)15(33-17)7-16(28)24(27,3)13(11)8-26(35-14,36-22)18(12)19/h9-15,17-20,22,31-32H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14+,15-,17+,18?,19?,20?,22?,24+,25-,26+,27+/m1/s1
InChIKey: InChIKey=WGNSSHTUPLHGIN-OLYRKVPTSA-N
Formula: C27H34O9
Molecular Weight: 502.554499
Exact Mass: 502.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Park, E.J., Nikolic, D., Schunke Vigo, J., Graham, J.G., Cabieses, F., van Breemen, R.B., Fong, H.H., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 1089-93
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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) | 208.5 |
| 2 (CH2) | 39.9 |
| 3 (CH) | 74.8 |
| 4 (C) | 208.1 |
| 5 (C) | 77.7 |
| 6 (CH) | 72.6 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 36.9 |
| 9 (CH) | 39.4 |
| 10 (C) | 51.5 |
| 11 (CH2) | 30.5 |
| 12 (C) | 104.8 |
| 13 (CH) | 39.6 |
| 14 (CH) | 37 |
| 15 (CH2) | 41.6 |
| 16 (CH) | 79.1 |
| 17 (CH) | 58.8 |
| 19 (CH3) | 17.1 |
| 20 (C) | 69.8 |
| 21 (CH3) | 26.1 |
| 22 (CH) | 78.5 |
| 23 (CH) | 81.4 |
| 24 (CH) | 43.4 |
| 25 (CH) | 42.2 |
| 26 (C) | 178.7 |
| 27 (CH3) | 13.4 |
| 28 (CH3) | 17.7 |
