| SpectraBase Compound ID | HIVXfaFfy15 |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(30)28-25/h16-18,20-23,25,29H,6-15H2,1-5H3,(H,28,30)/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | BZVJNAKFZTXRNY-ABXCMAEBSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 11HRBkJ4wHX |
|---|---|
| Name | 7A-aza-B-Homocholest-5-en-7-one, 3-hydroxy-, (3.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.345029691 u |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(30)28-25/h16-18,20-23,25,29H,6-15H2,1-5H3,(H,28,30)/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 |
| InChIKey | BZVJNAKFZTXRNY-ABXCMAEBSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(NC(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916184 |