| SpectraBase Spectrum ID |
5yTfaOb9iGo |
| Name |
16,22-Epoxycoprostan-3.beta.,26,27-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.339609957 u |
| Formula |
C27H46O4 |
| InChI |
InChI=1S/C27H46O4/c1-16-23(7-4-17(14-28)15-29)31-24-13-22-20-6-5-18-12-19(30)8-10-26(18,2)21(20)9-11-27(22,3)25(16)24/h16-25,28-30H,4-15H2,1-3H3 |
| InChIKey |
FYDHDWQCGZTSEU-UHFFFAOYSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(CO)CO)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936839 |
