Estradiol acetate
CAS Registry Number®
4245-41-4
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CAS Name
Estradiol acetateMolecular Formula
C20H26O3Molecular Mass
314.42Cite this Page
Estradiol acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4245-41-4 (retrieved ) (CAS RN: 4245-41-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
136.5-137.5 °C
Source(s)
Other Names and Identifiers
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
InChIKey=FHXBMXJMKMWVRG-SLHNCBLASA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(C)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]
Canonical SMILES
O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)C
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-acetate
- Estradiol, 3-acetate
- 3-O-Acetylestradiol
- β-Estradiol 3-acetate
- Estra-1,3,5(10)-triene-3,17β-diyl 3-acetate
Deleted or Replaced CAS Registry Numbers
25975-62-6
