| SpectraBase Spectrum ID |
FcwNAf0hKt6 |
| Name |
1,10-Epoxy-19-nor-5,10-seco-cholestane-3.beta.,5.alpha.-diol - 3-acetate - 5-(p-nitrobenzoate) |
| Comments |
Note: The molecular formula of the structure shown is C35H51NO7 - which differs from the formula reported for the mass spectrum (C39H17NO7) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H17NO7 |
| InChI |
InChI=1S/C35H51NO7/c1-21(2)7-6-8-22(3)30-15-16-31-28-14-13-26(42-34(38)24-9-11-25(12-10-24)36(39)40)19-27(41-23(4)37)20-32-33(43-32)29(28)17-18-35(30,31)5/h9-12,21-22,26-33H,6-8,13-20H2,1-5H3/t22-,26+,27-,28-,29+,30-,31+,32?,33-,35-/m1/s1 |
| InChIKey |
MKOKCEFDNJDQIN-CFJNKLOKSA-N |
| Molecular Weight |
597.793 g/mol |
| SMILES |
[C@]1(CC2[C@@]([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@](C1)(OC(c1ccc(cc1)N(=O)=O)=O)[H])[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])(O2)[H])(OC(C)=O)[H] |
| SPLASH |
splash10-03di-0004109000-fdd3af649a613748c009 |
| Source of Spectrum |
Y5-58-863-19 |
| Wiley ID |
879325 |
