Spektraris NMR
(5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one
Common Name: (5α,6E)-5-Hydroxy-6-(hydroxyimino)stigmastan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H49NO3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(30-33)29(32)17-21(31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-20,22-25,32-33H,7-17H2,1-6H3/b30-26+/t19-,20-,22+,23-,24+,25+,27-,28-,29+/m1/s1
InChIKey: InChIKey=CGYPDDDLDCLDOK-VVYPQOISSA-N
Formula: C29H49N1O3
Molecular Weight: 459.705396
Exact Mass: 459.371244
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kovganko, N.V., Chernov, Y.G. Chem Nat Compd (2001) 37, 351-5
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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 (CH2) | 32.3 |
| 2 (CH2) | 38 |
| 3 (C) | 211.4 |
| 4 (CH2) | 47.5 |
| 5 (C) | 78.9 |
| 6 (C) | 160 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 35.4 |
| 9 (CH) | 45.6 |
| 10 (C) | 42 |
| 11 (CH2) | 22 |
| 12 (CH2) | 40.2 |
| 13 (C) | 43.1 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 56.3 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 14.2 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 19 |
| 22 (CH2) | 34.2 |
| 23 (CH2) | 26.4 |
| 24 (CH) | 46.1 |
| 25 (CH) | 29.5 |
| 26 (CH3) | 19.3 |
| 27 (CH3) | 20 |
| 24a (CH2) | 23.4 |
| 24b (CH3) | 12.2 |
