Spektraris NMR
Subtrifloralactones F
Common Name: Subtrifloralactones F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O7/c1-12-13(2)25(32)34-23(12)24(31)27(4,33)22-19(29)10-16-15-9-8-14-6-5-7-20(30)26(14,3)17(15)11-18(28)21(16)22/h5,7-8,12-13,15-17,19,21-24,29,31,33H,6,9-11H2,1-4H3/t12-,13-,15+,16+,17+,19+,21-,22+,23?,24+,26+,27-/m1/s1
InChIKey: InChIKey=MNWPBDFBHHJMMD-QNPWUSFVSA-N
Formula: C27H36O7
Molecular Weight: 472.571571
Exact Mass: 472.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Su, B.N., Park, E.J., Nikolic, D., Santarsiero, B.D., Mesecar, A.D., Vigo, J.S., Graham, J.G., Cabieses, F., Breemen, R.B.v., Fong, H.H.S., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Org Chem (2003) 68, 2350
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) | 203 |
| 2 (CH) | 127.7 |
| 3 (CH) | 146.3 |
| 4 (CH2) | 33.3 |
| 5 (C) | 135.9 |
| 6 (CH) | 124.3 |
| 7 (CH2) | 30.5 |
| 8 (CH) | 39.3 |
| 9 (CH) | 46.5 |
| 10 (C) | 51 |
| 11 (CH2) | 44.9 |
| 12 (C) | 212.1 |
| 13 (CH) | 57.3 |
| 14 (CH) | 51 |
| 15 (CH2) | 41.7 |
| 16 (CH) | 73.2 |
| 17 (CH) | 47.7 |
| 19 (CH3) | 18.8 |
| 20 (C) | 77 |
| 21 (CH3) | 22.5 |
| 22 (CH) | 77.4 |
| 23 (CH) | 84.7 |
| 24 (CH) | 41.7 |
| 25 (CH) | 42.9 |
| 26 (C) | 179.2 |
| 27 (CH3) | 13.8 |
| 28 (CH3) | 17.9 |
