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1,4;6,17;8,15,10,13-Tetramethanoheptacene, 1,2,3,4,5,5a,6,8,8a,9,10,11,12,13,14,14a,15,17,17a,18-eicosahydro-7,16-dimethoxy-2,3,11,12-tetramethylene-
SpectraBase Compound ID 7nVb6djXlfT
InChI InChI=1S/C40H42O2/c1-15-16(2)20-7-19(15)23-9-27-28(10-24(20)23)32-13-31(27)35-36(32)40(42-6)38-34-14-33(37(38)39(35)41-5)29-11-25-21-8-22(18(4)17(21)3)26(25)12-30(29)34/h19-22,27-34H,1-4,7-14H2,5-6H3
InChIKey RATILIYKCXEQOQ-UHFFFAOYSA-N
Mol Weight 554.8 g/mol
Molecular Formula C40H42O2
Exact Mass 554.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4iNedGkwJF
Name 1,4;6,17;8,15,10,13-Tetramethanoheptacene, 1,2,3,4,5,5a,6,8,8a,9,10,11,12,13,14,14a,15,17,17a,18-eicosahydro-7,16-dimethoxy-2,3,11,12-tetramethylene-
CAS Registry Number 154875-45-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H42O2
InChI InChI=1S/C40H42O2/c1-15-16(2)20-7-19(15)23-9-27-28(10-24(20)23)32-13-31(27)35-36(32)40(42-6)38-34-14-33(37(38)39(35)41-5)29-11-25-21-8-22(18(4)17(21)3)26(25)12-30(29)34/h19-22,27-34H,1-4,7-14H2,5-6H3
InChIKey RATILIYKCXEQOQ-UHFFFAOYSA-N
Molecular Weight 554.774 g/mol
SMILES C12=C(C3CC2C(C3=C)=C)CC2C3c4c(c5C6C7CC=8C9C(=C)C(C(C8CC7C(c5c(c4C(C2C1)C3)OC)C6)C9)=C)OC
SPLASH splash10-03di-0292020000-11d26f3f87ce63b49a97
Source of Spectrum U-1997-513-10
Synonyms 7,16-Dimethoxy-eicosahydro-2,3,11,12-tetramethylene-1,4 : 6,17 : 8,15 : 10,13-tetramethanoheptacene 3,18-dimethoxy-10,11,25,26-tetramethyleneundecacyclo[18.10.1.1(5,16).1(9,12).1(24,27).0(2,19).0(4,17).0(6,15).0(8,13).0(21,30).0(23,28)]tetratriaconta-2(19),3,8(13),17,23(28)-pentaene
Wiley ID 769643