| SpectraBase Spectrum ID |
INy5kswgIMu |
| Name |
Allopregane-3-ol, 3-o-acetyl-20-[N-[3-cyano-2-methypropyl]carbamoyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
470.350843346 u |
| Formula |
C29H46N2O3 |
| InChI |
InChI=1S/C29H46N2O3/c1-18(12-15-30)17-31-27(33)19(2)24-8-9-25-23-7-6-21-16-22(34-20(3)32)10-13-28(21,4)26(23)11-14-29(24,25)5/h18-19,21-26H,6-14,16-17H2,1-5H3,(H,31,33) |
| InChIKey |
UTQJJEVNPXINOD-UHFFFAOYSA-N |
| Molecular Weight |
470.698 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)C(NCC(CC#N)C)=O)C)C)OC(C)=O |
![Allopregane-3-ol, 3-o-acetyl-20-[N-[3-cyano-2-methypropyl]carbamoyl]-](/api/spectrum/INy5kswgIMu/structure.png?h=300&w=458 "Allopregane-3-ol, 3-o-acetyl-20-[N-[3-cyano-2-methypropyl]carbamoyl]-")
