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Heptacyclo[13.13.2(1,15).2(8,22).2.(3,27).1(6,10).1(13,17).1(20,24)]hexatriaconta-1,3-(33),6,8,10(34),13,15,17(35),20,22,24(36),27-dodecaene

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Heptacyclo[13.13.2(1,15).2(8,22).2.(3,27).1(6,10).1(13,17).1(20,24)]hexatriaconta-1,3-(33),6,8,10(34),13,15,17(35),20,22,24(36),27-dodecaene
SpectraBase Compound ID KOJnTlxin7F
InChI InChI=1S/C36H36/c1-2-26-15-29-7-9-33-19-31-5-3-27-13-25(1)14-28(17-27)4-6-32-20-34(10-8-30(16-26)18-29)24-36(22-32)12-11-35(21-31)23-33/h13-24H,1-12H2
InChIKey MMPDHQVWLXSMIO-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C36H36
Exact Mass 468.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMXbQ1yizLE
Name Heptacyclo[13.13.2(1,15).2(8,22).2.(3,27).1(6,10).1(13,17).1(20,24)]hexatriaconta-1,3-(33),6,8,10(34),13,15,17(35),20,22,24(36),27-dodecaene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36
InChI InChI=1S/C36H36/c1-2-26-15-29-7-9-33-19-31-5-3-27-13-25(1)14-28(17-27)4-6-32-20-34(10-8-30(16-26)18-29)24-36(22-32)12-11-35(21-31)23-33/h13-24H,1-12H2
InChIKey MMPDHQVWLXSMIO-UHFFFAOYSA-N
Molecular Weight 468.684 g/mol
SMILES c12cc3CCc4cc5CCc6cc(CCc(c2)c3)cc(CCc2cc(CC1)cc(c2)CCc(c4)c5)c6
SPLASH splash10-014i-0000900000-22c60d0fde6a1197ab83
Source of Spectrum QE-2-1593-1
Synonyms heptacyclo[13.13.2.2(8,22).1(3,27).1(6,10).1(13,17).1(20,24)]hexatriaconta-1,3(33),6(36),7,9,13(35),14,16,20(34),21,23,27-dodecaene
Wiley ID 842814