| SpectraBase Spectrum ID |
34NOfgeK2eP |
| Name |
Estra-1,3,5(10)-triene-16.alpha.,17.beta.-diol, 3-methoxy-, bis(trifluoroacetate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
494.152792846 u |
| Formula |
C23H24F6O5 |
| InChI |
InChI=1S/C23H24F6O5/c1-21-8-7-14-13-6-4-12(32-2)9-11(13)3-5-15(14)16(21)10-17(33-19(30)22(24,25)26)18(21)34-20(31)23(27,28)29/h4,6,9,14-18H,3,5,7-8,10H2,1-2H3 |
| InChIKey |
BCUCRQSPRXXKQQ-UHFFFAOYSA-N |
| Molecular Weight |
494.430 g/mol |
| SMILES |
C1(=CC=C2C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@]([C@@]2(OC(=O)C(F)(F)F)[H])(OC(=O)C(F)(F)F)[H])[H])C)[H])[H])OC |
