CHEBI:135981 - estradiol acetate

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ChEBI Name estradiol acetate
ChEBI ID CHEBI:135981
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H26O3
Net Charge 0
Average Mass 314.419
Monoisotopic Mass 314.18819
InChI InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey FHXBMXJMKMWVRG-SLHNCBLASA-N
SMILES C[C@@]12[C@]([C@]3([C@](CC1)(C4=C(CC3)C=C(C=C4)OC(C)=O)[H])[H])(CC[C@@H]2O)[H]
ChEBI Ontology
Outgoing estradiol acetate (CHEBI:135981) is a steroid ester (CHEBI:47880)
Manual Xref Database
4497 DrugCentral
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Registry Number Type Source
4245-41-4 CAS Registry Number DrugCentral
Last Modified
23 February 2017