Chem
J-GLOBAL ID:200907034137623945
Nikkaji number:J238.517A
Miroestrol
ミロエストロール
Download MOL file
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:
C20 H22 O6
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
ミレストロール
2β,12β-Methano-1β,2α,4aα,8-tetrahydroxy-11,11-dimethyl-1,2,4a,11,12,12aα-hexahydro-10bαH-6-oxachrysene-4(3H)-one
(+)-ミロエステロール
(+)-Miroesterol
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CAS registry number:
2618-41-9
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