| SpectraBase Spectrum ID |
HkIOhsmBjid |
| Name |
3-Methoxy-D-homoestra-1,3,5(10),8,14,pentaen-17A-one, 17A-cyclic ethyleneketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.188194694 u |
| Formula |
C22H26O3 |
| InChI |
InChI=1S/C22H26O3/c1-21-11-9-18-17-8-6-16(23-2)14-15(17)5-7-19(18)20(21)4-3-10-22(21)24-12-13-25-22/h4,6,8,14H,3,5,7,9-13H2,1-2H3 |
| InChIKey |
JUCNNHZSKADAGB-UHFFFAOYSA-N |
| Molecular Weight |
338.447 g/mol |
| SMILES |
C12=CC(=CC=C2C2=C(CC1)C=1C(C3(CCC1)OCCO3)(C)CC2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960265 |
