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Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,6,9,11,13(27),15,18,21,23-decaene-5,17,26,28-tetrone, 11,23-bis(1,1-dimethylethyl)-25,27-diethoxy-, stereoisomer
SpectraBase Compound ID K6KiKgEvWy6
InChI InChI=1S/C40H44O6/c1-9-45-37-27-11-23-19-33(41)21-25(35(23)43)13-29-17-32(40(6,7)8)18-30(38(29)46-10-2)14-26-22-34(42)20-24(36(26)44)12-28(37)16-31(15-27)39(3,4)5/h15-22H,9-14H2,1-8H3
InChIKey SBDKIZIFWLFNMO-UHFFFAOYSA-N
Mol Weight 620.8 g/mol
Molecular Formula C40H44O6
Exact Mass 620.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1b6aacos7vn
Name Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,6,9,11,13(27),15,18,21,23-decaene-5,17,26,28-tetrone, 11,23-bis(1,1-dimethylethyl)-25,27-diethoxy-, stereoisomer
CAS Registry Number 129492-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44O6
InChI InChI=1S/C40H44O6/c1-9-45-37-27-11-23-19-33(41)21-25(35(23)43)13-29-17-32(40(6,7)8)18-30(38(29)46-10-2)14-26-22-34(42)20-24(36(26)44)12-28(37)16-31(15-27)39(3,4)5/h15-22H,9-14H2,1-8H3
InChIKey SBDKIZIFWLFNMO-UHFFFAOYSA-N
Molecular Weight 620.786 g/mol
SMILES C=12C(C(Cc3c(c(CC=4C(C(Cc5c(c(C2)cc(c5)C(C)(C)C)OCC)=CC(C4)=O)=O)cc(c3)C(C)(C)C)OCC)=CC(C1)=O)=O
SPLASH splash10-0a4i-9010003000-6efedfa238d193254630
Source of Spectrum J-55-5643-15
Synonyms 11,23-bis(1,1-dimethylethyl)-25,27-diethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,6,9,11,13(27),15,18,21,23-decaene-5,17,26,28-tetrone 11,23-ditert-butyl-25,27-diethoxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,6,9(27),10,12,15,18,21,23-decaene-5,17,26,28-tetrone
Wiley ID 1411569