Mytatrienediol

CAS Registry Number®

5108-94-1

CAS Name

Mytatrienediol

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

Mytatrienediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5108-94-1 (retrieved 2024-11-22) (CAS RN: 5108-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-181 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1

InChIKey

InChIKey=OOVXZFCPCSVSEM-NADOGSGZSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)(C=4C(CC3)=CC(OC)=CC4)[H])[H])(C[C@](C)(O)[C@@H]2O)[H]

Canonical SMILES

OC1C(O)(C)CC2C3CCC4=CC(OC)=CC=C4C3CCC12C

Other Names for this Substance

  • Estra-1,3,5(10)-triene-16,17-diol, 3-methoxy-16-methyl-, (16β,17β)-
  • Estra-1,3,5(10)-triene-16β,17β-diol, 3-methoxy-16-methyl-
  • (16β,17β)-3-Methoxy-16-methylestra-1,3,5(10)-triene-16,17-diol
  • SC 6924
  • Manvene

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Deleted or Replaced CAS Registry Numbers

1050677-81-0