Home > Name List By other > (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15, 16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

CAS No 474-86-2 , (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,
16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

  • Name: (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,
    16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
  • Synonyms: Equilin [USP]; 474-86-2; 1,3,5,7-Estratetraen-3-ol-17-one; Equilin (USP);Dihydroequilenin; ST081365;(9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,
    16-hexahydro-6H-cyclopenta[a]phenanthren-17-one; CHEBI:42309; 7-Dehydroestrone;
  • CAS Registry Number:
  • Density: 1.22 g/cm3
  • Refractive index: 1.626
  • Safety Statements: Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Hazard Symbols: Xn: Harmful;
  • EINECS: 207-488-6
  • Molecular Weight: 268.3502
  • InchiKey: WKRLQDKEXYKHJB-HFTRVMKXSA-N
  • InChI: InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-
    7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
  • Risk Statements: 40-62-63
  • Molecular Formula: C18H20O2
  • Molecular Structure:CAS No:474-86-2 (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,<br />16-hexahydro-6H-cyclopenta[a]phenanthren-17-one

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474-86-2 EQUILIN

  • Hong kong Advanced Technology & Industrial Co., Ltd. [Manufacturer]
  • Tel: (852) 2390 2293/ (852) 2394 5546
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  • Address: Unit B, 1/F., Cheong Shing Bldg.,
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    Hong Kong null,nullHong kong
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474-86-2 Estra-1,3,5(10),7-tetraen-17-one,3-hydroxy-

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  • Canada Synth?se AptoChem Inc. [Manufacturer]
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  • Fax: 514-496-4253
  • Address: Synth?se AptoChem Inc.
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    Montreal, QC
    Canada
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474-86-2 Estra-1,3,5(10),7-tetraen-17-one,3-hydroxy-

  • United States STERALOIDS [Manufacturers]
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  • Address: P.O. Box 689, Newport, Rhode Island 02840, U.S.A. Newport,Rhode IslandUnited States
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References of (9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,
16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Title: Equilin
CAS Registry Number: 474-86-2
CAS Name: 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
Synonyms: 1,3,5,7-estratetraen-3-ol-17-one
Molecular Formula: C18H20O2
Molecular Weight: 268.35
Percent Composition: C 80.56%, H 7.51%, O 11.92%
Literature References: Steroidal hormone isolated from urine of pregnant mares: Girard et al., Compt. Rend. 195, 981 (1932); Cartland, Meyer, J. Biol. Chem. 112, 9 (1935/6). Structure: Serini, Logemann, Ber. 71, 186 (1938); Pearlman, Wintersteiner, J. Biol. Chem. 130, 35 (1939). Separation from estrone: Serini, Logemann, US 2221340 (1941 to Schering). Synthesis: Zderic et al., J. Am. Chem. Soc. 80, 2596 (1958); Bagli et al., Tetrahedron Lett. 1964, 387; Stein et al., ibid. 1966, 5015; eidem, Tetrahedron 26, 1917 (1970). Prepn from testosterone by bacterial fermentation: Bowers et al., US 3067212 (1962 to Syntex). Prepn by conversion of equilenin: Bailey et al., Chem. Commun. 1967, 1253; Marshall, Deghenghi, Can. J. Chem. 47, 3127 (1969). Component of Conjugated Estrogenic Hormones, q.v. Review of synthetic studies: Taub, "Naturally Occurring Aromatic Steroids" in The Total Synthesis of Natural Products vol. 2, J. ApSimon, Ed. (John Wiley & Sons, New York, 1973) pp 664-670.
Properties: Orthorhombic sphenoidal plates from ethyl acetate, mp 238-240°. [a]D25 +308° (c = 2 in dioxane); [a]D25 +325° (c = 2 in alc). uv max: 283-285 nm. Soluble in alcohol, dioxane, acetone, ethyl acetate, in other organic solvents; sparingly sol in water.
Melting point: mp 238-240°
Optical Rotation: [a]D25 +308° (c = 2 in dioxane); [a]D25 +325° (c = 2 in alc)
Absorption maximum: uv max: 283-285 nm
 
Derivative Type: Benzoate
Molecular Formula: C25H24O3
Molecular Weight: 372.46
Percent Composition: C 80.62%, H 6.49%, O 12.89%
Properties: mp 196-197°.
Melting point: mp 196-197°
 
Derivative Type: Methyl ether
Molecular Formula: C19H22O2
Molecular Weight: 282.38
Percent Composition: C 80.81%, H 7.85%, O 11.33%
Properties: Needles from alc, mp 161-162°.
Melting point: mp 161-162°
 
Therap-Cat: Estrogen.
Keywords: Estrogen; Steroidal.