Spektraris NMR
3-Epineoruscogenin
Common Name: 3-Epineoruscogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey: InChIKey=ALTRINCJVPIQNK-VIBADNOWSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pan, W.B., Chang, F.R., Wei, L.M., Wu, Y.C. J Nat Prod (2003) 66, 161-8
Species:
Notes: Family : Steroids, Type : Spirostanes; 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 (CH) | 75.4 |
| 2 (CH2) | 40.8 |
| 3 (CH) | 66.5 |
| 4 (CH2) | 41 |
| 5 (C) | 140 |
| 6 (CH) | 124.5 |
| 7 (CH2) | 32.9 |
| 8 (CH) | 32.3 |
| 9 (CH) | 51.2 |
| 10 (C) | 44.6 |
| 11 (CH2) | 24.3 |
| 12 (CH2) | 40.5 |
| 13 (C) | 40.2 |
| 14 (CH) | 57 |
| 15 (CH2) | 32.3 |
| 16 (CH) | 81.4 |
| 17 (CH) | 63.1 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 13.2 |
| 20 (CH) | 41.8 |
| 21 (CH3) | 14.9 |
| 22 (C) | 109.4 |
| 23 (CH2) | 33.2 |
| 24 (CH2) | 28.9 |
| 25 (C) | 144.5 |
| 26 (CH2) | 64.9 |
| 27 (CH2) | 108.6 |
