Spektraris NMR
Physalins s
Common Name: Physalins s
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O10/c1-22-9-17-24(3)28-18(22)19(31)27(38-28,35-10-14(22)20(32)36-17)13-7-16(30)25-8-11(25)6-15(29)23(25,2)12(13)4-5-26(28,34)21(33)37-24/h11-14,16-18,30,34H,4-10H2,1-3H3/t11?,12?,13-,14+,16-,17-,18?,22-,23+,24+,25+,26-,27?,28+/m1/s1
InChIKey: InChIKey=NGJUDKAJZIRZMA-LJMYSQTJSA-N
Formula: C28H32O10
Molecular Weight: 528.548759
Exact Mass: 528.199547
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Makino, B., Kawai, M., Kito, K., Yamamura, H., Butsugan, Y. Tetrahedron (1995) 51, 12529
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) | 217 |
| 2 (CH2) | 39.5 |
| 3 (CH) | 14.5 |
| 4 (CH2) | 17 |
| 5 (C) | 34.4 |
| 6 (CH) | 70.2 |
| 7 (CH2) | 31.7 |
| 8 (CH) | 36.2 |
| 9 (CH) | 36.7 |
| 10 (C) | 52.9 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 24.6 |
| 13 (C) | 78.1 |
| 14 (C) | 106.1 |
| 15 (C) | 209.4 |
| 16 (CH) | 54.1 |
| 17 (C) | 80.3 |
| 18 (C) | 172 |
| 19 (CH3) | 13.2 |
| 20 (C) | 80.3 |
| 21 (CH3) | 21.6 |
| 22 (CH) | 76.2 |
| 23 (CH2) | 31.3 |
| 24 (C) | 30.5 |
| 25 (CH) | 49.3 |
| 26 (C) | 167.2 |
| 27 (CH2) | 60.7 |
| 28 (CH3) | 24.4 |
