Spektraris NMR
(3β,22E)-6-Oxostigmast-22-en-3-yl acetate
Common Name: (3β,22E)-6-Oxostigmast-22-en-3-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-8-22(19(2)3)10-9-20(4)25-11-12-26-24-18-29(33)28-17-23(34-21(5)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h9-10,19-20,22-28H,8,11-18H2,1-7H3/b10-9+/t20-,22-,23+,24+,25-,26+,27+,28-,30-,31-/m1/s1
InChIKey: InChIKey=ONHPTEVGGAKUAY-IPEILNDQSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kovganko, N.V., Sokolov, S.N., Survilo, V.L. Chem Nat Compd (2001) 37, 343-6
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) | 36.4 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 72.8 |
| 4 (CH2) | 26.1 |
| 5 (CH) | 56.5 |
| 6 (C) | 210.3 |
| 7 (CH2) | 46.6 |
| 8 (CH) | 37.9 |
| 9 (CH) | 53.9 |
| 10 (C) | 40.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 39.3 |
| 13 (C) | 42.9 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 24 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 56.6 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 13 |
| 20 (CH) | 40.4 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 138 |
| 23 (CH) | 129.6 |
| 24 (CH) | 51.2 |
| 25 (CH) | 31.9 |
| 26 (CH3) | 21.3 |
| 27 (CH3) | 19 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.2 |
| 24a (CH2) | 25.4 |
| 24b (CH3) | 12.2 |
