Spektraris NMR
3-Epiruscogenin
Common Name: 3-Epiruscogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O4/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/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey: InChIKey=QMQIQBOGXYYATH-MFVXVVJVSA-N
Formula: C27H42O4
Molecular Weight: 430.621001
Exact Mass: 430.30831
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) | 41.1 |
| 5 (C) | 140.1 |
| 6 (CH) | 124.6 |
| 7 (CH2) | 32.4 |
| 8 (CH) | 31.8 |
| 9 (CH) | 51.2 |
| 10 (C) | 44.6 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 40.6 |
| 13 (C) | 40.2 |
| 14 (CH) | 57 |
| 15 (CH2) | 32.4 |
| 16 (CH) | 81.1 |
| 17 (CH) | 63.1 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 13.2 |
| 20 (CH) | 42 |
| 21 (CH3) | 15 |
| 22 (C) | 109.2 |
| 23 (CH2) | 32.9 |
| 24 (CH2) | 29.2 |
| 25 (CH) | 30.6 |
| 26 (CH2) | 66.8 |
| 27 (CH3) | 17.3 |
