Spektraris NMR
Subtrifloralactone L
Common Name: Subtrifloralactone L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O7/c1-11-12(2)24(30)32-22(11)23-26(4,31)21-18-9-14-13-8-17(28)15-6-5-7-19(29)25(15,3)16(13)10-27(33-18,34-23)20(14)21/h5-7,11-14,16-18,20-23,28,31H,8-10H2,1-4H3/t11-,12-,13+,14+,16+,17-,18+,20-,21?,22?,23?,25+,26-,27+/m1/s1
InChIKey: InChIKey=GNNMCSRZHQSNEB-AOPYTSNZSA-N
Formula: C27H34O7
Molecular Weight: 470.555689
Exact Mass: 470.230453
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) | 205.3 |
| 2 (CH) | 126.5 |
| 3 (CH) | 139.8 |
| 4 (CH) | 118.6 |
| 5 (C) | 156.9 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 42.8 |
| 8 (CH) | 35.5 |
| 9 (CH) | 42.2 |
| 10 (C) | 52.7 |
| 11 (CH2) | 32.3 |
| 12 (C) | 104.8 |
| 13 (CH) | 39.2 |
| 14 (CH) | 37.3 |
| 15 (CH2) | 41.7 |
| 16 (CH) | 79 |
| 17 (CH) | 58.9 |
| 19 (CH3) | 20.5 |
| 20 (C) | 69.7 |
| 21 (CH3) | 26.1 |
| 22 (CH) | 78.4 |
| 23 (CH) | 81.5 |
| 24 (CH) | 43.4 |
| 25 (CH) | 42.4 |
| 26 (C) | 178.9 |
| 27 (CH3) | 13.4 |
| 28 (CH3) | 17.9 |
