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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 DQSOZnpZtr8
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/t19?,20?,21?,22?,27?,28?,29?,30?,31-,32+,33?,34?
InChIKey RATILIYKCXEQOQ-YXVSCNLASA-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 FRf8qGYDyWJ
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-
Alternate Name(s) 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
CAS Registry Number 154875-45-3
Copyright Copyright © 2020-2024 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/t19?,20?,21?,22?,27?,28?,29?,30?,31-,32+,33?,34?
InChIKey RATILIYKCXEQOQ-YXVSCNLASA-N
Molecular Weight 554.774 g/mol
SMILES c12c(c3c(c(c2C2CC1C1C2CC2=C(C1)C1C(C(C2C1)=C)=C)OC)[C@]1(C2C([C@@]3(C1)[H])CC1=C(C2)C2C(C(C1C2)=C)=C)[H])OC
SPLASH splash10-03di-1492010000-ce2bdf8fef3ba8dbacf6
Wiley ID 1475079