| SpectraBase Spectrum ID |
HhI9Kvk8t4H |
| Name |
3-Methoxy-14.alpha.-hydroxy-D-homo-1,3,5(10)-estratrien-17A-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.188194694 u |
| Formula |
C20H26O3 |
| InChI |
InChI=1S/C20H26O3/c1-19-11-9-16-15-7-6-14(23-2)12-13(15)5-8-17(16)20(19,22)10-3-4-18(19)21/h6-7,12,16-17,22H,3-5,8-11H2,1-2H3/t16?,17?,19?,20-/m1/s1 |
| InChIKey |
DIIYVLKCTQKMEU-OZNCTZQZSA-N |
| SMILES |
C12([C@@](C3CCC4=C(C3CC2)C=CC(OC)=C4)(O)CCCC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878503 |
