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23,24-Dicarbomethoxy-9,10-diphenylundecacyclo[16.10.1,1(4,15).1(21,26).0(2,17).0(3,16).0(5,14).0(7,12).0(20,27).0(19,28).0(22,25)]octacosa-5,7,9,11,13,23-hexene
SpectraBase Compound ID BLLFrjeeAZw
InChI InChI=1S/C47H42O4/c1-50-46(48)44-42-32-19-33(43(42)45(44)47(49)51-2)41-39-31-18-30(38(39)40(32)41)36-34-28-17-29(35(34)37(31)36)27-16-23-14-25(21-11-7-4-8-12-21)24(13-22(23)15-26(27)28)20-9-5-3-6-10-20/h3-16,28-43H,17-19H2,1-2H3/t28-,29+,30-,31+,32-,33+,34-,35?,36?,37+,38?,39?,40-,41?,42-,43?/m0/s1
InChIKey KEAHUDTUNZMWRH-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C47H42O4
Exact Mass 670.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xXAlTRlA2c
Name 23,24-Dicarbomethoxy-9,10-diphenylundecacyclo[16.10.1,1(4,15).1(21,26).0(2,17).0(3,16).0(5,14).0(7,12).0(20,27).0(19,28).0(22,25)]octacosa-5,7,9,11,13,23-hexene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H42O4
InChI InChI=1S/C47H42O4/c1-50-46(48)44-42-32-19-33(43(42)45(44)47(49)51-2)41-39-31-18-30(38(39)40(32)41)36-34-28-17-29(35(34)37(31)36)27-16-23-14-25(21-11-7-4-8-12-21)24(13-22(23)15-26(27)28)20-9-5-3-6-10-20/h3-16,28-43H,17-19H2,1-2H3/t28-,29+,30-,31+,32-,33+,34-,35?,36?,37+,38?,39?,40-,41?,42-,43?/m0/s1
InChIKey KEAHUDTUNZMWRH-UHFFFAOYSA-N
Molecular Weight 670.849 g/mol
SMILES C1(=C(C(=O)OC)C2[C@@]1([C@@]1([C@]3(C4[C@@]5(C6[C@]7([C@@]8(c9cc%10cc(-c%11ccccc%11)c(cc%10cc9[C@](C7[C@]6([C@](C4C3[C@]2(C1)[H])(C5)[H])[H])(C8)[H])-c1ccccc1)[H])[H])[H])[H])[H])[H])C(=O)OC
SPLASH splash10-00di-0001009000-12dba40dd059a043e00c
Source of Spectrum KC-61-6974-7
Wiley ID 1629860