Chem
J-GLOBAL ID：200907053806870052   Nikkaji number：J1.491.291F

Deoxymiroestrol

デオキシミレストロール
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： C20H22O5
Molecular formula furigana： C20-H22-O5
Molecular weight： 342.391
InChI： InChI=1S/C20H22O5/c1-19(2)12-6-20(24)7-13(22)15(16(12)18(20)23)11-8-25-14-5-9(21)3-4-10(14)17(11)19/h3-5,8,12,15-18,21,23-24H,6-7H2,1-2H3/t12-,15+,16+,17+,18+,20+/m0/s1
InChI key： AZKZPXFWTQSDET-ZMNKABNMSA-N
SMILES： CC1(C)[C@H]2C[C@@]3(O)CC(=O)[C@H]([C@@H]2[C@H]3O)C2=COc3cc(O)ccc3[C@@H]12
Systematic name  (4)：
  • 2,3,10bα,11,12,12aα-ヘキサヒドロ-1β,2α,8-トリヒドロキシ-11,11-ジメチル-2,12β-メタノ-1H-ベンゾ[b]ナフト[2,1-d]ピラン-4(4aαH)-オン
  • 2β,12β-メタノ-1β,2α,8-トリヒドロキシ-11,11-ジメチル-1,2,4aα,11,12,12aα-ヘキサヒドロ-10bαH-6-オキサクリセン-4(3H)-オン
  • (1S,3S,13R,16R,17R,18R)-7,16,17-トリヒドロキシ-2,2-ジメチル-10-オキサペンタシクロ[14.2.1.03,12.04,9.013,18]ノナデカ-4,6,8,11-テトラエン-14-オン
  • (1S,3S,13R,16R,17R,18R)-7,16,17-trihydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4,6,8,11-tetraen-14-one
Other name (7)：
  • 2,3,10bα,11,12,12aα-Hexahydro-1β,2α,8-trihydroxy-11,11-dimethyl-2,12β-methano-1H-benzo[b]naphtho[2,1-d]pyran-4(4aαH)-one
  • デオキシミロエストロール
  • Deoxymiroestrol
  • デオキシミレストロール
  • 2β,12β-Methano-1β,2α,8-trihydroxy-11,11-dimethyl-1,2,4aα,11,12,12aα-hexahydro-10bαH-6-oxachrysene-4(3H)-one
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KEGG COMPOUND： C18164
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