Chem
J-GLOBAL ID：200907043308353517   Nikkaji number：J2.008.422G

3,4,10,11-[(6bS,7S,9R,12S,14R)-8,13-Dihexyl-6b,7,9,12,14,14a-hexahydro-7,14:9,12-diepoxynaphtho[2,3-k]fluoranthene]-11,10,4,3-tetryl[(6bS,7S,9R,12S,14R)-8,13-dihexyl-6b,7,9,12,14,14a-hexahydro-7,14:9,12-diepoxynaphtho[2,3-k]fluoranthene]

3,4,10,11-[(6bS,7S,9R,12S,14R)-8,13-ジヘキシル-6b,7,9,12,14,14a-ヘキサヒドロ-7,14:9,12-ジエポキシナフト[2,3-k]フルオランテン]-11,10,4,3-テトライル[(6bS,7S,9R,12S,14R)-8,13-ジヘキシル-6b,7,9,12,14,14a-ヘキサヒドロ-7,14:9,12-ジエポキシナフト[2,3-k]フルオランテン]
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： C72H72O4
Molecular formula furigana： C72-H72-O4
Molecular weight： 1001.364
InChI： InChI=1S/C72H72O4/c1-5-9-13-17-21-33-49-51-34(22-18-14-10-6-2)52-50(33)66-58-38-26-28-42-48-44(32-30-40(46(38)48)60(58)68(52)74-66)64-62(42)70-54-35(23-19-15-11-7-3)53-55(36(24-20-16-12-8-4)56(54)72(64)76-70)71-63-43-31-29-39-45-37(57-59(39)67(51)73-65(49)57)25-27-41(47(43)45)61(63)69(53)75-71/h25-32,57,59,62,64-72H,5-24H2,1-4H3/t57-,59?,62-,64?,65-,66-,67+,68+,69-,70-,71+,72?/m1/s1
InChI key： HKDUCBJUBYVVLU-SGZZYNGASA-N
SMILES： CCCCCCc1c2[C@H]3O[C@@H]4C5[C@H]3c3ccc6C7=C([C@H]8O[C@@H]7c7c8c(CCCCCC)c8[C@@H]9O[C@@H]([C@H]%10C9c9ccc%11C%12=C([C@@H]%13O[C@H]%12c(c1%13)c(CCCCCC)c24)c1ccc%10c9c%111)c8c7CCCCCC)c1ccc5c3c61
Systematic name  (3)：
  • 3,4,10,11-[(6bS,7S,9R,12S,14R)-8,13-ジヘキシル-6b,7,9,12,14,14a-ヘキサヒドロ-7,14:9,12-ジエポキシナフト[2,3-k]フルオランテン]-11,10,4,3-テトライル[(6bS,7S,9R,12S,14R)-8,13-ジヘキシル-6b,7,9,12,14,14a-ヘキサヒドロ-7,14:9,12-ジエポキシナフト[2,3-k]フルオランテン]
  • (3S,4S,10R,12S,19R,23R,25S,39S,40S,42R)-20,45,48,49-テトラヘキシル-11,24,41,50-テトラオキサノナデカシクロ[10.7.28.25,8.12,22.13,19.143,47.04,18.06,17.07,14.09,13.010,46.021,25.023,27.026,34.028,33.031,39.032,37.038,42.040,44]ドペンタコンタ-1(20),2(49),5,7,9(13),14,16,21,26,28,30,32(37),33,35,43(48),44,46,51-オクタデカエン
  • (3S,4S,10R,12S,19R,23R,25S,39S,40S,42R)-20,45,48,49-tetrahexyl-11,24,41,50-tetraoxanonadecacyclo[10.7.28.25,8.12,22.13,19.143,47.04,18.06,17.07,14.09,13.010,46.021,25.023,27.026,34.028,33.031,39.032,37.038,42.040,44]dopentaconta-1(20),2(49),5,7,9(13),14,16,21,26,28,30,32(37),33,35,43(48),44,46,51-octadecaene
Other name (1)：
  • 3,4,10,11-[(6bS,7S,9R,12S,14R)-8,13-Dihexyl-6b,7,9,12,14,14a-hexahydro-7,14:9,12-diepoxynaphtho[2,3-k]fluoranthene]-11,10,4,3-tetryl[(6bS,7S,9R,12S,14R)-8,13-dihexyl-6b,7,9,12,14,14a-hexahydro-7,14:9,12-diepoxynaphtho[2,3-k]fluoranthene]
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