Spektraris NMR
(25S)-25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A (4,7-didehydro-7-deoxyphysalin L,
Common Name: (25S)-25,27-Dihydro-4,7-didehydro-7-deoxyphysalin A (4,7-didehydro-7-deoxyphysalin L,
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5-9,13,15-16,18-19,33-34H,10-12H2,1-4H3/t13-,15?,16-,18-,19?,23-,24+,25+,26-,27?,28+/m1/s1
InChIKey: InChIKey=IHZOEMKIIBSQSB-XAAAKXBCSA-N
Formula: C28H30O9
Molecular Weight: 510.533472
Exact Mass: 510.188983
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kawai, M., Ogura, T., Butsugan, Y., Taga, T., Hayashi, M. Tetrahedron (1991) 47, 2103
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) | 124.9 |
| 3 (CH) | 139.8 |
| 4 (CH) | 118.1 |
| 5 (C) | 153.2 |
| 6 (CH) | 131.1 |
| 7 (CH) | 128.2 |
| 8 (CH) | 47.3 |
| 9 (CH) | 34 |
| 10 (C) | 50.6 |
| 11 (CH2) | 28.7 |
| 12 (CH2) | 22.2 |
| 13 (C) | 79.3 |
| 14 (C) | 101 |
| 15 (C) | 214.8 |
| 16 (CH) | 53.3 |
| 17 (C) | 82.5 |
| 18 (C) | 171.6 |
| 19 (CH3) | 18.2 |
| 20 (C) | 83 |
| 21 (CH3) | 20.9 |
| 22 (CH) | 76.6 |
| 23 (CH2) | 25.5 |
| 24 (C) | 34.5 |
| 25 (CH) | 41 |
| 26 (C) | 171.9 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 25.7 |
