![Acetamide, N-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-](/api/spectrum/25pag0tBw5e/structure.png?h=300&w=458 "Acetamide, N-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]-")
| SpectraBase Compound ID | 5gfvQGfycI7 |
|---|---|
| InChI | InChI=1S/C29H49NO3/c1-18(17-30-20(3)31)7-6-8-19(2)27-26(33)16-25-23-10-9-21-15-22(32)11-13-28(21,4)24(23)12-14-29(25,27)5/h9,18-19,22-27,32-33H,6-8,10-17H2,1-5H3,(H,30,31)/t18-,19-,22+,23-,24+,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey | CMFWHWGOTOIQFY-JFQLNVMGSA-N |
| Mol Weight | 459.7 g/mol |
| Molecular Formula | C29H49NO3 |
| Exact Mass | 459.371244 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 25pag0tBw5e |
|---|---|
| Name | Acetamide, N-[(3.beta.,16.beta.,25R)-3,16-dihydroxycholest-5-en-26-yl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.371244439 u |
| Formula | C29H49NO3 |
| InChI | InChI=1S/C29H49NO3/c1-18(17-30-20(3)31)7-6-8-19(2)27-26(33)16-25-23-10-9-21-15-22(32)11-13-28(21,4)24(23)12-14-29(25,27)5/h9,18-19,22-27,32-33H,6-8,10-17H2,1-5H3,(H,30,31)/t18-,19-,22+,23-,24+,25+,26+,27+,28+,29+/m1/s1 |
| InChIKey | CMFWHWGOTOIQFY-JFQLNVMGSA-N |
| Molecular Weight | 459.715 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(C[C@@]([C@@]1([C@@](CCC[C@](CNC(=O)C)(C)[H])(C)[H])[H])(O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934546 |