Spektraris NMR
Physalins B
Common Name: Physalins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14?,15-,16+,18-,19?,23-,24+,25+,26-,27?,28+/m1/s1
InChIKey: InChIKey=HVTFEHJSUSPQBK-OEAAOHMPSA-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) | 202.4 |
| 2 (CH) | 126.9 |
| 3 (CH) | 146.1 |
| 4 (CH2) | 32.3 |
| 5 (C) | 135.5 |
| 6 (CH) | 123.4 |
| 7 (CH2) | 24.4 |
| 8 (CH) | 40.2 |
| 9 (CH) | 33.1 |
| 10 (C) | 52 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 25.6 |
| 13 (C) | 78.2 |
| 14 (C) | 106.3 |
| 15 (C) | 209.3 |
| 16 (CH) | 54.1 |
| 17 (C) | 80.7 |
| 18 (C) | 171.8 |
| 19 (CH3) | 16.8 |
| 20 (C) | 80.3 |
| 21 (CH3) | 21.7 |
| 22 (CH) | 76.3 |
| 23 (CH2) | 31.4 |
| 24 (C) | 30.5 |
| 25 (CH) | 49.4 |
| 26 (C) | 167.2 |
| 27 (CH2) | 60.6 |
| 28 (CH3) | 24.4 |
