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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > 3,6-dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 3,6-dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 3,6-dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 3,6-dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester

Preferred term

3,6-dimethoxyestra-1,3,5(10),6,8-pentaene-17beta-carboxylic acid methyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H26O4

has_parent_hydride

inchi

  • InChI=1S/C22H26O4/c1-22-10-9-15-14-6-5-13(24-2)11-17(14)20(25-3)12-16(15)18(22)7-8-19(22)21(23)26-4/h5-6,11-12,18-19H,7-10H2,1-4H3/t18-,19+,22-/m0/s1

inchikey

  • RJVUHVSRJUDNRA-JQVVWYNYSA-N

mass

  • 354.43940

monoisotopicmass

  • 354.18311

smiles

  • COC(=O)[C@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@]12C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79552

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