| SpectraBase Spectrum ID |
CZMzXYPnuAX |
| Name |
Pregnan-16-one, 20-[[3-hydroxy-6-methyl]oxacyclohex-3-yl]methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.344695338 u |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-18(16-28(30)14-10-19(2)31-17-28)25-24(29)15-23-21-9-8-20-7-5-6-12-26(20,3)22(21)11-13-27(23,25)4/h18-23,25,30H,5-17H2,1-4H3 |
| InChIKey |
CVZQEWXRBPAYKA-UHFFFAOYSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
C1CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(CC1(CCC(OC1)C)O)C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843973 |
![Pregnan-16-one, 20-[[3-hydroxy-6-methyl]oxacyclohex-3-yl]methyl-](/api/spectrum/CZMzXYPnuAX/structure.png?h=300&w=458 "Pregnan-16-one, 20-[[3-hydroxy-6-methyl]oxacyclohex-3-yl]methyl-")
