| SpectraBase Spectrum ID |
LoY6zepRX3T |
| Name |
3-Methoxy-17A.beta.-methyl-17A.alpha.-acetoxy-D-homoestra-1,3,5(10),8-tetraen |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.219494823 u |
| Formula |
C23H30O3 |
| InChI |
InChI=1S/C23H30O3/c1-15(24)26-23(3)12-5-6-21-20-9-7-16-14-17(25-4)8-10-18(16)19(20)11-13-22(21,23)2/h8,10,14,21H,5-7,9,11-13H2,1-4H3 |
| InChIKey |
QMDHGVLKMRJNKJ-UHFFFAOYSA-N |
| Molecular Weight |
354.490 g/mol |
| SMILES |
C1(=CC=C2C(=C1)CCC1=C2CCC2(C1CCCC2(C)OC(=O)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951991 |
