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CHEBI:42143 - 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN

Default Structure
ChEBI IDCHEBI:42143
ChEBI Name3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC25H33NO3
Net Charge0
Average Mass395.543
Monoisotopic Mass395.24604
SMILES[H]c1c([H])c2c(c([H])c1C(=O)N([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]4(OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
InChIInChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1
InChIKeyYVAJWBACBRSVPR-NDUHRLLKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN (CHEBI:42143) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRANPDBeChem
(8R,9S,13S,14S,17R)-5',5',13-trimethyl-6'-oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-3-carboxamidePDBeChem
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