Chem
J-GLOBAL ID：200907034137623945   Nikkaji number：J238.517A

Miroestrol

ミロエストロール
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： C20H22O6
Molecular formula furigana： C20-H22-O6
Molecular weight： 358.390
InChI： InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16-,17+,19+,20-/m0/s1
InChI key： RJKLDOLOCIQYFS-PRTISISMSA-N
SMILES： CC1(C)[C@H]2C[C@@]3(O)CC(=O)[C@](O)([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,4aα,8-テトラヒドロキシ-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(4aH)-オン
  • 2β,12β-メタノ-1β,2α,4aα,8-テトラヒドロキシ-11,11-ジメチル-1,2,4a,11,12,12aα-ヘキサヒドロ-10bαH-6-オキサクリセン-4(3H)-オン
  • (1S,3R,13S,16R,17R,18S)-7,13,16,17-テトラヒドロキシ-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,3R,13S,16R,17R,18S)-7,13,16,17-tetrahydroxy-2,2-dimethyl-10-oxapentacyclo[14.2.1.03,12.04,9.013,18]nonadeca-4,6,8,11-tetraen-14-one
Other name (9)：
  • 2,3,10bα,11,12,12aα-Hexahydro-1β,2α,4aα,8-tetrahydroxy-11,11-dimethyl-2,12β-methano-1H-benzo[b]naphtho[2,1-d]pyran-4(4aH)-one
  • (+)-ミロエストロール
  • (+)-Miroestrol
  • Miroestrol
  • ミロエストロール
Show all
CAS registry number： 2618-41-9
KEGG COMPOUND： C08831
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM