Spektraris NMR
Physalin T
Common Name: Physalin T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h12-14,16-18,30,34-35H,4-11H2,1-3H3/t12-,13+,14-,16+,17+,18?,22+,23-,24-,25-,26+,27?,28-/m0/s1
InChIKey: InChIKey=HFDWVRTYJPQSME-RPDZFVIZSA-N
Formula: C28H34O11
Molecular Weight: 546.564045
Exact Mass: 546.210112
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kawai, M., Yamamoto, T., Makino, B., Yamamura, H., Araki, S., Butsugan, Y., Saito, K. J Asian Nat Prod Res (2001) 3, 199-205
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) | 215.4 |
| 2 (CH2) | 36.5 |
| 3 (CH2) | 20.5 |
| 4 (CH2) | 29.7 |
| 5 (C) | 77.6 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 27 |
| 8 (CH) | 38 |
| 9 (CH) | 30 |
| 10 (C) | 56.9 |
| 11 (CH2) | 25 |
| 12 (CH2) | 25.7 |
| 13 (C) | 79 |
| 14 (C) | 107 |
| 15 (C) | 209.7 |
| 16 (CH) | 54.2 |
| 17 (C) | 80.5 |
| 18 (C) | 171.8 |
| 19 (CH3) | 14.6 |
| 20 (C) | 80.5 |
| 21 (CH3) | 21.4 |
| 22 (CH) | 76.3 |
| 23 (CH2) | 31.3 |
| 24 (C) | 30.5 |
| 25 (CH) | 49.4 |
| 26 (C) | 167.2 |
| 27 (CH2) | 60.5 |
| 28 (CH3) | 24.4 |
