| SpectraBase Spectrum ID |
6ZVrMTGIKKQ |
| Name |
3-Methoxy-D-homoestra-1,3,5(10),14-tetraen-17A-one (8alpha,9alpha) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h4,7,9,12,16-17H,3,5-6,8,10-11H2,1-2H3 |
| InChIKey |
NTAZUUTZEISNDM-UHFFFAOYSA-N |
| SMILES |
C1(=CC=C2C(=C1)CCC1C2CCC2(C1=CCCC2=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935539 |
