Spektraris NMR
Physagulins M
Common Name: Physagulins M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O8/c1-15-12-23(38-26(34)16(15)2)17(3)29(35)14-25(37-18(4)31)30(36)21-13-22(32)20-8-7-9-24(33)28(20,6)19(21)10-11-27(29,30)5/h7-9,17,19,21-23,25,32,35-36H,10-14H2,1-6H3/t17-,19+,21-,22+,23-,25+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=LLYDHEDUPGJUDM-AMZRSCAFSA-N
Formula: C30H40O8
Molecular Weight: 528.634946
Exact Mass: 528.272318
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) | 205 |
| 2 (CH) | 126.5 |
| 3 (CH) | 139.7 |
| 4 (CH) | 117.8 |
| 5 (C) | 157.4 |
| 6 (CH) | 73.6 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 35.4 |
| 9 (CH) | 43.1 |
| 10 (C) | 53.7 |
| 11 (CH2) | 20 |
| 12 (CH2) | 47.7 |
| 13 (C) | 50.5 |
| 14 (C) | 87 |
| 15 (CH) | 79.4 |
| 16 (CH2) | 30.4 |
| 17 (C) | 86.4 |
| 18 (CH3) | 15 |
| 19 (CH3) | 18.3 |
| 20 (CH) | 41.7 |
| 21 (CH3) | 9.7 |
| 22 (CH) | 76.9 |
| 23 (CH2) | 32 |
| 24 (C) | 150.5 |
| 25 (C) | 121.4 |
| 26 (C) | 167.1 |
| 27 (CH3) | 12.3 |
| 28 (CH3) | 20.5 |
| 15a (C) | 169.2 |
| 15b (CH3) | 21.1 |
