Products 189035-19-6

CAS 189035-19-6 is the registry number for 11-(1,3-Benzodioxol-5-yl)-5,17-dihydroxy-17-(1-propynyl)-estr-9-en-3-one Cyclic 1,2-Ethanediyl Acetal. Offered by: TRC. Available pack sizes: 250mg.

11-(1,3-Benzodioxol-5-yl)-5,17-dihydroxy-17-(1-propynyl)-estr-9-en-3-one Cyclic 1,2-Ethanediyl Acetal
TRC
  • size: 250mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(5'R,8'S,11'R,13'S,14'S,17'S)-11'-(1,3-benzodioxol-5-yl)-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol (CAS 189035-19-6) is a chemical compound with the molecular formula C30H36O6 and a molecular weight of 492.6 g/mol. IUPAC name: (5'R,8'S,11'R,13'S,14'S,17'S)-11'-(1,3-benzodioxol-5-yl)-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol. InChIKey: VIZIBQPGPAUCJZ-KFCLCKCESA-N.

Identity
Molecular formulaC30H36O6
Molecular weight492.6 g/mol
IUPAC name(5'R,8'S,11'R,13'S,14'S,17'S)-11'-(1,3-benzodioxol-5-yl)-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol
InChIKeyVIZIBQPGPAUCJZ-KFCLCKCESA-N
SMILESCC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC5(C[C@@]4(CC[C@@H]23)O)OCCO5)C6=CC7=C(C=C6)OCO7)C)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(2S)-2-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one C30H36O6
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one C30H36O6
2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one C30H36O6
2'-hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-7',8-dione C30H36O6