| SpectraBase Spectrum ID |
8tbZ9lVVuxw |
| Name |
Estra-1,3,5(10)-triene-3,4,17.beta.-triol-4-methylether(3,17.beta.-di-acetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.209324061 u |
| Formula |
C23H30O5 |
| InChI |
InChI=1S/C23H30O5/c1-13(24)27-20-9-7-15-16-11-12-23(3)19(8-10-21(23)28-14(2)25)17(16)5-6-18(15)22(20)26-4/h7,9,16-17,19,21H,5-6,8,10-12H2,1-4H3 |
| InChIKey |
ZMQRFFYIFZWFRE-UHFFFAOYSA-N |
| Molecular Weight |
386.488 g/mol |
| SMILES |
C12(C(C3CCC=4C(C3CC2)=CC=C(OC(=O)C)C4OC)CCC1OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865285 |
