2-Hydroxyestradiol 3-methyl ether

CAS Registry Number®

5976-65-8
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CAS Name

2-Hydroxyestradiol 3-methyl ether

Molecular Formula

C19H26O3

Molecular Mass

302.41

Cite this Page

2-Hydroxyestradiol 3-methyl ether.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5976-65-8 (retrieved 2024-09-19) (CAS RN: 5976-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1

InChIKey

InChIKey=MMKYSUOJWFKECQ-SSTWWWIQSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC)=C(O)C4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

OC=1C=C2C(=CC1OC)CCC3C2CCC4(C)C(O)CCC34

Other Names for this Substance

  • Estra-1,3,5(10)-triene-2,17-diol, 3-methoxy-, (17β)-
  • Estra-1,3,5(10)-triene-2,17β-diol, 3-methoxy-
  • (17β)-3-Methoxyestra-1,3,5(10)-triene-2,17-diol
  • 2-Hydroxy-17β-estradiol 3-methyl ether
  • 2-Hydroxyestradiol 3-methyl ether

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