Spektraris NMR
Physalins R
Common Name: Physalins R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O9/c1-22-10-17-24(3)27-20(22)26(33)14(9-25(27,32)21(31)36-24)18-13(8-7-12-5-4-6-16(29)23(12,18)2)28(26,37-27)34-11-15(22)19(30)35-17/h4,6-7,13-15,17-18,20,32-33H,5,8-11H2,1-3H3/t13-,14-,15+,17-,18?,20?,22-,23-,24+,25-,26-,27+,28?/m1/s1
InChIKey: InChIKey=QIKPZCKXLAUCEB-NFXBVIASSA-N
Formula: C28H30O9
Molecular Weight: 510.533472
Exact Mass: 510.188983
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) | 202.7 |
| 2 (CH) | 127.1 |
| 3 (CH) | 148.6 |
| 4 (CH2) | 32.1 |
| 5 (C) | 137.7 |
| 6 (CH) | 124.4 |
| 7 (CH2) | 25.4 |
| 8 (CH) | 43.2 |
| 9 (CH) | 44.7 |
| 10 (C) | 51.4 |
| 11 (CH) | 46.9 |
| 12 (CH2) | 34.7 |
| 13 (C) | 85.9 |
| 14 (C) | 112 |
| 15 (C) | 75.6 |
| 16 (CH) | 49.6 |
| 17 (C) | 82.1 |
| 18 (C) | 173.8 |
| 19 (CH3) | 17.6 |
| 20 (C) | 81.9 |
| 21 (CH3) | 20.4 |
| 22 (CH) | 75.6 |
| 23 (CH2) | 31 |
| 24 (C) | 31.3 |
| 25 (CH) | 50.1 |
| 26 (C) | 168.6 |
| 27 (CH2) | 60 |
| 28 (CH3) | 28.3 |
