Spektraris NMR
Physalis alkekengi
Common Name: Physalis alkekengi
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H32O10/c1-24-11-19-26(3)29-20(24)21(31)28(39-29,36-12-17(24)22(32)37-19)16-6-5-13-9-14(35-4)10-18(30)25(13,2)15(16)7-8-27(29,34)23(33)38-26/h5-6,9,14-17,19-20,34H,7-8,10-12H2,1-4H3/t14-,15+,16-,17+,19-,20+,24-,25+,26+,27-,28?,29+/m1/s1
InChIKey: InChIKey=UKFIOFFQSFYJFW-DYRAVGHKSA-N
Formula: C29H32O10
Molecular Weight: 540.559494
Exact Mass: 540.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qiu, L., Jiang, Z.H., Liu, H.X., Chen, L.X., Yao, X.S., Qiu, F. J Asian Nat Prod Res (2008) 10, 881-5
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) | 213.3 |
| 2 (CH2) | 41.8 |
| 3 (CH) | 77.8 |
| 4 (CH) | 124 |
| 5 (C) | 142.1 |
| 6 (CH) | 128 |
| 7 (CH) | 126.7 |
| 8 (CH) | 44.2 |
| 9 (CH) | 32.2 |
| 10 (C) | 51.4 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 25.9 |
| 13 (C) | 80.1 |
| 14 (C) | 106.4 |
| 15 (C) | 207.8 |
| 16 (CH) | 55.6 |
| 17 (C) | 81 |
| 18 (C) | 171.9 |
| 19 (CH3) | 20 |
| 20 (C) | 80.6 |
| 21 (CH3) | 21.4 |
| 22 (CH) | 77 |
| 23 (CH2) | 32.9 |
| 24 (C) | 31.2 |
| 25 (CH) | 50.9 |
| 26 (C) | 166.4 |
| 27 (CH2) | 61.2 |
| 28 (CH3) | 26.5 |
| 3a (CH3) | 56.2 |
