Chem
J-GLOBAL ID：201707013310804247   Nikkaji number：J3.541.759A

3,4-[Oxy(3-methylbutane-1,3-diyl)]estra-1(10),2,4-triene-17-one

3,4-[オキシ(3-メチルブタン-1,3-ジイル)]エストラ-1(10),2,4-トリエン-17-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H30O2
Molecular formula furigana： C23-H30-O2
Molecular weight： 338.491
InChI： InChI=1S/C23H30O2/c1-22(2)12-13-25-19-8-6-14-15-10-11-23(3)18(7-9-20(23)24)16(15)4-5-17(14)21(19)22/h6,8,15-16,18H,4-5,7,9-13H2,1-3H3/t15-,16-,18+,23+/m1/s1
InChI key： DWWAPDDAGFEBRW-VBWKBDAESA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4c3ccc3OCCC(C)(C)c43)[C@@H]1CCC2=O
Systematic name  (3)：
  • 3,4-[オキシ(3-メチルブタン-1,3-ジイル)]エストラ-1(10),2,4-トリエン-17-オン
  • (2S,5S,9S,10R)-5,15,15-トリメチル-18-オキサペンタシクロ[11.8.0.02,10.05,9.014,19]ヘンイコサ-1(13),14(19),20-トリエン-6-オン
  • (2S,5S,9S,10R)-5,15,15-trimethyl-18-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(13),14(19),20-trien-6-one
Other name (1)：
  • 3,4-[Oxy(3-methylbutane-1,3-diyl)]estra-1(10),2,4-triene-17-one
Thsaurus map：
Thesaurus Map

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