Equilenin - CAS 517-09-9

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Catalog Number: R052468

CAS Number: 517-09-9

PubChem Substance ID:355164231

Molecular Formula: C18H18O2

Molecular Weight:266.34

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

• Synonyms: 3-Hydroxyestra-1,3,5,7,9-pentaen-17-one; (+)-Equilenin; 3-Hydroxyestra-1,3,5(10),6,8-pentaen-17-one; E 400; Equilenine; NSC 9901; d-Equilenin

Property

• Molecular Formula: C18H18O2
• Molecular Weight: 266.34
• Purity: ≥95%
• Storage: -20°C

Computed Descriptor

• IUPAC Name: (13S,14S)-3-hydroxy-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
• InChI: InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3/t16-,18-/m0/s1
• InChIKey: PDRGHUMCVRDZLQ-WMZOPIPTSA-N
• SMILES: CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O