| SpectraBase Spectrum ID |
AG37hooq0sK |
| Name |
3-Methoxy-3,6-dipentylandrostane-6,17-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.407295596 u |
| Formula |
C30H54O3 |
| InChI |
InChI=1S/C30H54O3/c1-6-8-10-15-29(33-5)19-18-27(3)24-14-17-28(4)23(12-13-26(28)31)22(24)20-30(32,25(27)21-29)16-11-9-7-2/h22-26,31-32H,6-21H2,1-5H3 |
| InChIKey |
MTJSUKCZOCWCRE-UHFFFAOYSA-N |
| Molecular Weight |
462.759 g/mol |
| SMILES |
C1(CCC2(C(C1)C(CC1C3C(CCC21)(C(O)CC3)C)(CCCCC)O)C)(CCCCC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872344 |
