Spektraris NMR
(6E)-6-(Hydroxyimino)stigmast-4-en-3-one
Common Name: (6E)-6-(Hydroxyimino)stigmast-4-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H47NO2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(30-32)26-16-21(31)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,32H,7-15,17H2,1-6H3/b30-27+/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
InChIKey: InChIKey=RBDMVPLHNUYCLZ-ZORUVLOBSA-N
Formula: C29H47N1O2
Molecular Weight: 441.690109
Exact Mass: 441.36068
NMR Solvent: CDCl3
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) | 34.8 |
| 2 (CH2) | 33.9 |
| 3 (C) | 201.8 |
| 4 (CH) | 122.5 |
| 5 (C) | 162.9 |
| 6 (C) | 155.5 |
| 7 (CH2) | 29.6 |
| 8 (CH) | 32.6 |
| 9 (CH) | 51.2 |
| 10 (C) | 38.7 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 39.3 |
| 13 (C) | 42.5 |
| 14 (CH) | 56.6 |
| 15 (CH2) | 24.1 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 12 |
| 19 (CH3) | 16.5 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 33.8 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 45.9 |
| 25 (CH) | 29.2 |
| 26 (CH3) | 19 |
| 27 (CH3) | 19.6 |
| 24a (CH2) | 23.1 |
| 24b (CH3) | 12 |
