Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, 17-acetate, (17β)-
CAS Registry Number®
5976-55-6
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CAS Name
Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, 17-acetate, (17β)-Molecular Formula
C21H28O3Molecular Mass
328.45Cite this Page
Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, 17-acetate, (17β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5976-55-6 (retrieved ) (CAS RN: 5976-55-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
101-102.5 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H28O3/c1-13(22)24-20-9-8-19-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey
InChIKey=FMNPCVNWRFPDCA-MJCUULBUSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(C)=O)[H]
Canonical SMILES
O=C(OC1CCC2C3CCC4=CC(OC)=CC=C4C3CCC12C)C
Other Names for this Substance
- Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, 17-acetate, (17β)-
- Estra-1,3,5(10)-trien-17β-ol, 3-methoxy-, acetate
- Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, acetate, (17β)-
- Estradiol 3-methyl ether 17-acetate
- Estradiol 17-acetate 3-methyl ether
Deleted or Replaced CAS Registry Numbers
25681-43-0, 742105-66-4
