Chem
J-GLOBAL ID：200907086854091427   Nikkaji number：J2.008.421I

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

3,4,10,11-[(6bR,7R,9S,12R,14S)-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[(6bR,7R,9S,12R,14S)-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+/m0/s1
InChI key： HKDUCBJUBYVVLU-MCULMETGSA-N
SMILES： CCCCCCc1c2[C@H]3O[C@@H]4[C@@H]5C3c3ccc6C7=C([C@H]8O[C@@H]7c7c8c(CCCCCC)c8[C@@H]9O[C@@H](C%10[C@@H]9c9ccc%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-[(6bR,7R,9S,12R,14S)-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[(6bR,7R,9S,12R,14S)-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]
  • (8S,10R,11R,17R,19S,25R,27S,29R,42S,44R)-22,47,50,51-テトラヘキシル-9,18,26,43-テトラオキサノナデカシクロ[6.6.35.12,6.120,24.145,49.03,16.07,11.010,48.015,19.017,21.023,27.025,29.028,36.030,35.033,41.034,39.040,44.042,46.012,52]ドペンタコンタ-1,3,5,12(52),13,15,20,22,24(51),30,32,34(39),35,37,40,45,47,49-オクタデカエン
  • (8S,10R,11R,17R,19S,25R,27S,29R,42S,44R)-22,47,50,51-tetrahexyl-9,18,26,43-tetraoxanonadecacyclo[6.6.35.12,6.120,24.145,49.03,16.07,11.010,48.015,19.017,21.023,27.025,29.028,36.030,35.033,41.034,39.040,44.042,46.012,52]dopentaconta-1,3,5,12(52),13,15,20,22,24(51),30,32,34(39),35,37,40,45,47,49-octadecaene
Other name (1)：
  • 3,4,10,11-[(6bR,7R,9S,12R,14S)-8,13-Dihexyl-6b,7,9,12,14,14a-hexahydro-7,14:9,12-diepoxynaphtho[2,3-k]fluoranthene]-11,10,4,3-tetryl[(6bR,7R,9S,12R,14S)-8,13-dihexyl-6b,7,9,12,14,14a-hexahydro-7,14:9,12-diepoxynaphtho[2,3-k]fluoranthene]
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