6-Dehydroestradiol[6-脱氢雌二醇]

7291-41-0

CAS Name

6-Dehydroestradiol

Molecular Formula

C₁₈H₂₂O₂

Molecular Mass

270.37

Compound Properties

• Melting Point (1)

  225-227 °C

Source(s)

• (1) Kaufmann, St.; Journal of the American Chemical Society, (1950), 72, 4531-4, CAplus

Other Names and Identifiers

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1

InChIKey

InChIKey=VVLCELUSWGWMSW-ZBRFXRBCSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(C=C3)=CC(O)=CC4)(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

OC=1C=CC2=C(C=CC3C2CCC4(C)C(O)CCC34)C1

Other Names for this Substance