Spektraris NMR
Physagulins N
Common Name: Physagulins N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-14-11-20(35-24(32)15(14)2)16(3)18-12-23(31)28(34)19-13-22(30)27(33)9-6-7-21(29)26(27,5)17(19)8-10-25(18,28)4/h6-7,16-20,22-23,30-31,33-34H,8-13H2,1-5H3/t16-,17-,18+,19+,20+,22+,23-,25+,26-,27-,28+/m0/s1
InChIKey: InChIKey=FBDDCGIZSNPIGK-GSXKAVFKSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - He, Q.P., Ma, L., Luo, J.Y., He, F.Y., Lou, L.G., Hu, L.H. Chem Biodiversity (2007) 4, 443-9
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) | 205.4 |
| 2 (CH) | 127.4 |
| 3 (CH) | 142 |
| 4 (CH2) | 34.6 |
| 5 (C) | 76.6 |
| 6 (CH) | 73.5 |
| 7 (CH2) | 35.9 |
| 8 (CH) | 35.7 |
| 9 (CH) | 36 |
| 10 (C) | 51.7 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 42.7 |
| 13 (C) | 44.8 |
| 14 (C) | 84.3 |
| 15 (CH) | 76.7 |
| 16 (CH2) | 29.3 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 14.6 |
| 19 (CH3) | 14 |
| 20 (CH) | 36.9 |
| 21 (CH3) | 16.6 |
| 22 (CH) | 78.8 |
| 23 (CH2) | 27.4 |
| 24 (C) | 150.7 |
| 25 (C) | 120.8 |
| 26 (C) | 167.9 |
| 27 (CH3) | 11.4 |
| 28 (CH3) | 19.5 |
