Chem
J-GLOBAL ID：201007096844450298   Nikkaji number：J2.785.202E

(3S)-3α-Hydroxy-3-(1-chloro-7-isoquinolinyl)-3aα-methyl-10aα,11aα-ethano-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-dodecahydro-11-oxa-11H-cyclopenta[a]anthracene-7-one ethylene acetal

(3S)-3α-ヒドロキシ-3-(1-クロロ-7-イソキノリニル)-3aα-メチル-10aα,11aα-エタノ-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-ドデカヒドロ-11-オキサ-11H-シクロペンタ[a]アントラセン-7-オンエチレンアセタール
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： C30H32ClNO4
Molecular formula furigana： C30-H32-CL-N-O4
Molecular weight： 506.040
InChI： InChI=1S/C30H32ClNO4/c1-26-10-5-20-18-24-27(8-2-9-30(24)34-15-16-35-30)12-13-28(20,36-27)23(26)6-11-29(26,33)21-4-3-19-7-14-32-25(31)22(19)17-21/h3-5,7,14,17-18,23,33H,2,6,8-13,15-16H2,1H3/t23-,26+,27+,28-,29-/m1/s1
InChI key： IHIGMFODRDABAY-ZZSLVBTLSA-N
SMILES： C[C@]12CC=C3C=C4[C@@]5(CC[C@]3(O5)[C@@H]1CC[C@@]2(O)c1ccc2ccnc(Cl)c2c1)CCCC14OCCO1
Systematic name  (3)：
  • (3S)-3α-ヒドロキシ-3-(1-クロロ-7-イソキノリニル)-3aα-メチル-10aα,11aα-エタノ-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-ドデカヒドロ-11-オキサ-11H-シクロペンタ[a]アントラセン-7-オンエチレンアセタール
  • (1'S,2'R,5'S,6'S,16'S)-5'-(1-クロロイソキノリン-7-イル)-6'-メチル-19'-オキサスピロ[1,3-ジオキソラン-2,12'-ペンタシクロ[14.2.1.01,9.02,6.011,16]ノナデカン]-8',10'-ジエン-5'-オール
  • (1'S,2'R,5'S,6'S,16'S)-5'-(1-chloroisoquinolin-7-yl)-6'-methyl-19'-oxaspiro[1,3-dioxolane-2,12'-pentacyclo[14.2.1.01,9.02,6.011,16]nonadecane]-8',10'-dien-5'-ol
Other name (1)：
  • (3S)-3α-Hydroxy-3-(1-chloro-7-isoquinolinyl)-3aα-methyl-10aα,11aα-ethano-1,2,3,3a,4,7,8,9,10,10a,11a,11bβ-dodecahydro-11-oxa-11H-cyclopenta[a]anthracene-7-one ethylene acetal
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