| SpectraBase Spectrum ID |
4VSAO3AFmKX |
| Name |
Estra-1,3,5(10)-triene-3,11.beta.-17.beta.-triol(3,11.beta.,17.beta.-tri-acetate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-19-20-9-10-22(30-15(3)27)24(20,4)12-21(23(18)19)29-14(2)26/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3 |
| InChIKey |
GEFHORFJVMAZBQ-UHFFFAOYSA-N |
| Molecular Weight |
414.498 g/mol |
| SMILES |
C12(C(C3CCC=4C(C3C(C2)OC(=O)C)=CC=C(OC(=O)C)C4)CCC1OC(=O)C)C |
