Chem
J-GLOBAL ID：200907003370677440   Nikkaji number：J2.520.759I

[3-[(3aS)-3aα-(3-Iodopropyl)-4,4-[ethylenebis(oxy)]-6α-methyl-3a,4,5,6,7,7aα-hexahydro-1H-indene-3-yl]propyl]carbamic acid tert-butyl ester

[3-[(3aS)-3aα-(3-ヨードプロピル)-4,4-[エチレンビス(オキシ)]-6α-メチル-3a,4,5,6,7,7aα-ヘキサヒドロ-1H-インデン-3-イル]プロピル]カルバミド酸tert-ブチル
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： C23H38INO4
Molecular formula furigana： C23-H38-I-N-O4
Molecular weight： 519.464
InChI： InChI=1S/C23H38INO4/c1-17-15-19-9-8-18(7-5-12-25-20(26)29-21(2,3)4)22(19,10-6-11-24)23(16-17)27-13-14-28-23/h8,17,19H,5-7,9-16H2,1-4H3,(H,25,26)/t17-,19-,22-/m1/s1
InChI key： MQSRPTSQSOGXPR-SFGWALBWSA-N
SMILES： C[C@@H]1C[C@H]2CC=C(CCCNC(=O)OC(C)(C)C)[C@@]2(CCCI)C2(C1)OCCO2
Systematic name  (3)：
  • [3-[(3aS)-3aα-(3-ヨードプロピル)-4,4-[エチレンビス(オキシ)]-6α-メチル-3a,4,5,6,7,7aα-ヘキサヒドロ-1H-インデン-3-イル]プロピル]カルバミド酸tert-ブチル
  • tert-ブチル N-{3-[(3'aS,6'R,7'aS)-3'a-(3-ヨードプロピル)-6'-メチル-1',3'a,5',6',7',7'a-ヘキサヒドロスピロ[1,3-ジオキソラン-2,4'-インデン]-3'-イル]プロピル}カルバマート
  • tert-butyl N-{3-[(3'aS,6'R,7'aS)-3'a-(3-iodopropyl)-6'-methyl-1',3'a,5',6',7',7'a-hexahydrospiro[1,3-dioxolane-2,4'-inden]-3'-yl]propyl}carbamate
Other name (1)：
  • [3-[(3aS)-3aα-(3-Iodopropyl)-4,4-[ethylenebis(oxy)]-6α-methyl-3a,4,5,6,7,7aα-hexahydro-1H-indene-3-yl]propyl]carbamic acid tert-butyl ester
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