Spektraris NMR
Subtrifloralactones C
Common Name: Subtrifloralactones C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O7/c1-12-13(2)23(29)32-20(12)22-25(4,30)19-17-11-26(31)15-9-8-14-6-5-7-18(28)24(14,3)16(15)10-27(33-17,34-22)21(19)26/h5,7-8,12-13,15-17,19-22,30-31H,6,9-11H2,1-4H3/t12-,13-,15-,16+,17+,19?,20-,21+,22-,24+,25-,26-,27+/m1/s1
InChIKey: InChIKey=YIHXRNSBYZFMDW-AIBVLLDNSA-N
Formula: C27H34O7
Molecular Weight: 470.555689
Exact Mass: 470.230453
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) | 203.5 |
| 2 (CH) | 128 |
| 3 (CH) | 146.1 |
| 4 (CH2) | 33.4 |
| 5 (C) | 136.4 |
| 6 (CH) | 124.9 |
| 7 (CH2) | 36.1 |
| 8 (CH) | 38.1 |
| 9 (CH) | 37.4 |
| 10 (C) | 51.5 |
| 11 (CH2) | 32.5 |
| 12 (C) | 102.5 |
| 13 (CH) | 44.2 |
| 14 (C) | 79.7 |
| 15 (CH2) | 42.9 |
| 16 (CH) | 77.3 |
| 17 (CH) | 59.3 |
| 19 (CH3) | 18.7 |
| 20 (C) | 71.3 |
| 21 (CH3) | 26.1 |
| 22 (CH) | 79.4 |
| 23 (CH) | 81.9 |
| 24 (CH) | 42.9 |
| 25 (CH) | 42.4 |
| 26 (C) | 178.9 |
| 27 (CH3) | 13.7 |
| 28 (CH3) | 17.9 |
