| SpectraBase Compound ID | 6glsH6Xcp4M |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-6-20(7-2)27(31)13-8-19(3)24-11-12-25-23-10-9-21-18-22(30)14-16-28(21,4)26(23)15-17-29(24,25)5/h9,19-20,22-26,30H,6-8,10-18H2,1-5H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | JSIBCXIICBLPNZ-HSIBUNQISA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CFR8GSbd8Oa |
|---|---|
| Name | 3.beta.-Hydroxy-26,27-dimethylcholest-5-en-24-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.365430784 u |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-6-20(7-2)27(31)13-8-19(3)24-11-12-25-23-10-9-21-18-22(30)14-16-28(21,4)26(23)15-17-29(24,25)5/h9,19-20,22-26,30H,6-8,10-18H2,1-5H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | JSIBCXIICBLPNZ-HSIBUNQISA-N |
| Molecular Weight | 428.701 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(=O)C(CC)CC)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938761 |