| SpectraBase Spectrum ID |
3A4uUIIlJf0 |
| Name |
2'-(3.alpha.-Benzyloxy-24-norcholan-23-yl)-4',4'-dimethyl-4',5'-dihydrooxazoline-N-oxide |
| Alternate Name(s) |
2-[(3R)-3-[(1S,2S,5R,7R,10R,11S,15R)-5-(benzyloxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]butyl]-4,4-dimethyl-3-oxido-4,5-dihydro-1,3-oxazol-3-ium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H53NO3 |
| InChI |
InChI=1S/C35H53NO3/c1-24(11-16-32-36(37)33(2,3)23-39-32)29-14-15-30-28-13-12-26-21-27(38-22-25-9-7-6-8-10-25)17-19-34(26,4)31(28)18-20-35(29,30)5/h6-10,24,26-31H,11-23H2,1-5H3/t24-,26-,27-,28+,29?,30+,31+,34+,35-/m1/s1 |
| InChIKey |
HRDKMEHLROWHEQ-MHAURVEUSA-N |
| Molecular Weight |
535.813 g/mol |
| SMILES |
C1(=[N+](C(CO1)(C)C)[O-])CC[C@](C1[C@@]2([C@@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OCc2ccccc2)(C4)[H])C)[H])[H])([H])CC1)C)(C)[H] |
| SPLASH |
splash10-01tc-1900010000-8089aacf2bd0128e6546 |
| Source of Spectrum |
F-48-143-5 |
| Wiley ID |
1403978 |
