SpectraBase Compound ID | Eo1cT8ahcG8 |
---|---|
InChI | InChI=1S/C27H43NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)28-24(29)11-6-7-15-27(28,5)23(20)14-16-26(21,22)4/h6,11,18-23H,7-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1 |
InChIKey | UPSYLOLVKJIAJC-VHHOZFFRSA-N |
Mol Weight | 413.6 g/mol |
Molecular Formula | C27H43NO2 |
Exact Mass | 413.32938 g/mol |
SpectraBase Spectrum ID | BnbuMYROjcp |
---|---|
Name | A-Homo-6-aza-3-cholesten-5,6a-dione |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H43NO2 |
InChI | InChI=1S/C27H43NO2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)28-24(29)11-6-7-15-27(28,5)23(20)14-16-26(21,22)4/h6,11,18-23H,7-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1 |
InChIKey | UPSYLOLVKJIAJC-VHHOZFFRSA-N |
Molecular Weight | 413.646 g/mol |
SMILES | [C@]12(N(C(C[C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])=O)C(C=CCC1)=O)C |
SPLASH | splash10-0089-0409200000-df76bfec2e09fca57509 |
Source of Spectrum | F2-44-844-13 |
Wiley ID | 1639144 |