Chem
J-GLOBAL ID：200907065501540751   Nikkaji number：J2.008.419G

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

3,4,10,11-[(6bS,9R,12S)-8,13-ジヘキシル-6b,9,12,14a-テトラヒドロ-9,12-エポキシナフト[2,3-k]フルオランテン]-10,11,3,4-テトライル[(6bS,9R,12S)-8,13-ジヘキシル-6b,9,12,14a-テトラヒドロ-9,12-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： C72H72O2
Molecular formula furigana： C72-H72-O2
Molecular weight： 969.366
InChI： InChI=1S/C72H72O2/c1-5-9-13-17-21-37-49-33-53-41-25-30-47-60-48-32-27-42(57(41)60)54(53)34-50(49)38(22-18-14-10-6-2)62-61(37)69-65-45-29-26-43-55-35-51-39(23-19-15-11-7-3)63-64(72-68(48)67(47)71(63)74-72)40(24-20-16-12-8-4)52(51)36-56(55)44-28-31-46(59(45)58(43)44)66(65)70(62)73-69/h25-36,53-56,69-72H,5-24H2,1-4H3/t53-,54?,55?,56?,69-,70+,71+,72-/m1/s1
InChI key： VEXIQANRFRXIFA-GXAZOUMMSA-N
SMILES： CCCCCCc1c2[C@H]3O[C@@H]4C5=C3c3ccc6C7C=c8c(CCCCCC)c9[C@@H]%10O[C@@H](C%11=C%10c%10ccc%12[C@H]%13C=c1c(=CC%13c1ccc%11c%10c%121)c(CCCCCC)c24)c9c(CCCCCC)c8=C[C@@H]7c1ccc5c3c61
Systematic name  (3)：
  • 3,4,10,11-[(6bS,9R,12S)-8,13-ジヘキシル-6b,9,12,14a-テトラヒドロ-9,12-エポキシナフト[2,3-k]フルオランテン]-10,11,3,4-テトライル[(6bS,9R,12S)-8,13-ジヘキシル-6b,9,12,14a-テトラヒドロ-9,12-エポキシナフト[2,3-k]フルオランテン]
  • (12S,18S,33R,38S,44R,46S)-10,21,24,35-テトラヘキシル-45,47-ジオキサヘプタデカシクロ[21.18.5.214,17.12,6.112,33.03,43.07,38.09,36.011,34.013,32.015,31.016,28.018,27.020,25.022,44.042,46.039,50]ペンタコンタ-1(41),2,4,6(50),8,10,13(32),14,16,19,21,23,25,28,30,34,36,39,42,48-イコサエン
  • (12S,18S,33R,38S,44R,46S)-10,21,24,35-tetrahexyl-45,47-dioxaheptadecacyclo[21.18.5.214,17.12,6.112,33.03,43.07,38.09,36.011,34.013,32.015,31.016,28.018,27.020,25.022,44.042,46.039,50]pentaconta-1(41),2,4,6(50),8,10,13(32),14,16,19,21,23,25,28,30,34,36,39,42,48-icosaene
Other name (1)：
  • 3,4,10,11-[(6bS,9R,12S)-8,13-Dihexyl-6b,9,12,14a-tetrahydro-9,12-epoxynaphtho[2,3-k]fluoranthene]-10,11,3,4-tetryl[(6bS,9R,12S)-8,13-dihexyl-6b,9,12,14a-tetrahydro-9,12-epoxynaphtho[2,3-k]fluoranthene]
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