Spektraris NMR
Physagulins L
Common Name: Physagulins L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O7/c1-15-12-24(37-27(34)16(15)2)17(3)21-14-26(36-18(4)31)30(35)22-13-23(32)20-8-7-9-25(33)29(20,6)19(22)10-11-28(21,30)5/h7-9,14,17,19,22-24,26,32,35H,10-13H2,1-6H3/t17-,19-,22+,23-,24+,26-,28+,29+,30-/m0/s1
InChIKey: InChIKey=YJDKOHBJNZGVGR-RYRGEWKHSA-N
Formula: C30H38O7
Molecular Weight: 510.61966
Exact Mass: 510.261754
NMR Solvent: CDCl3
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) | 206.2 |
| 2 (CH) | 125.9 |
| 3 (CH) | 140.1 |
| 4 (CH) | 117.6 |
| 5 (C) | 158.1 |
| 6 (CH) | 72.8 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 35.4 |
| 9 (CH) | 44 |
| 10 (C) | 53.6 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 38.2 |
| 13 (C) | 52 |
| 14 (C) | 82.4 |
| 15 (CH) | 83.6 |
| 16 (CH) | 120.4 |
| 17 (C) | 161.1 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 19.6 |
| 20 (CH) | 35.6 |
| 21 (CH3) | 16.8 |
| 22 (CH) | 78.2 |
| 23 (CH2) | 32 |
| 24 (C) | 150.9 |
| 25 (C) | 121.1 |
| 26 (C) | 167.8 |
| 27 (CH3) | 12.2 |
| 28 (CH3) | 20.4 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.3 |
