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Names
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IUPAC name
Estra-1,3,5(10)-triene-3,4,16α,17β-tetrol
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Systematic IUPAC name
(1R,2R,3aS,3bR,9bS,11aS)-11a-Methyl-2,3,3a,3b,4,5,9b,10,11,11a-decahydro-1H-cyclopentaphenanthrene-1,2,6,7-tetrol
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Identifiers
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CAS Number
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3D model (JSmol)
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ChemSpider
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PubChem CID
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UNII
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CompTox Dashboard (EPA)
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InChI
- InChI=1S/C18H24O4/c1-18-7-6-10-9-4-5-14(19)16(21)12(9)3-2-11(10)13(18)8-15(20)17(18)22/h4-5,10-11,13,15,17,19-22H,2-3,6-8H2,1H3/t10-,11-,13+,15-,17+,18+/m1/s1Key: KKXSCWWODCABHQ-OZPBLJIJSA-N
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SMILES
- C12CC3(1C(2O)O)CCC4=C3C=CC(=C4O)O
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Properties
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Chemical formula
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C18H24O4
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Molar mass
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304.386 g·mol
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Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa).
Infobox references
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