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(1R*,3S*,5S*,7R*)-1,2,3,5,6,7-Hexahydro-1,3,5,7-tetraethyl-4-(diphenylethylenedioxy)-s-indacene isomer
SpectraBase Compound ID Cd1OrzINayK
InChI InChI=1S/C35H42O2/c1-5-22-19-24(7-3)30-28(22)21-29-23(6-2)20-25(8-4)31(29)32(30)35-36-33(26-15-11-9-12-16-26)34(37-35)27-17-13-10-14-18-27/h9-18,21-25,33-35H,5-8,19-20H2,1-4H3/t22-,23-,24+,25+,33?,34?,35?/m1/s1
InChIKey AOOJVYYIKGVIFG-UMQSFRMASA-N
Mol Weight 494.7 g/mol
Molecular Formula C35H42O2
Exact Mass 494.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nRkhkALcWA
Name (1R*,3S*,5S*,7R*)-1,2,3,5,6,7-Hexahydro-1,3,5,7-tetraethyl-4-(diphenylethylenedioxy)-s-indacene isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H42O2
InChI InChI=1S/C35H42O2/c1-5-22-19-24(7-3)30-28(22)21-29-23(6-2)20-25(8-4)31(29)32(30)35-36-33(26-15-11-9-12-16-26)34(37-35)27-17-13-10-14-18-27/h9-18,21-25,33-35H,5-8,19-20H2,1-4H3/t22-,23-,24+,25+,33?,34?,35?/m1/s1
InChIKey AOOJVYYIKGVIFG-UMQSFRMASA-N
Molecular Weight 494.719 g/mol
SMILES c1(C2OC(c3ccccc3)C(O2)c2ccccc2)c2c(cc3c1[C@](C[C@]3(CC)[H])(CC)[H])[C@](CC)(C[C@@]2(CC)[H])[H]
SPLASH splash10-00kb-0390000000-5e30755b139e5e47ac95
Source of Spectrum F-53-11291-25
Synonyms (1R*,3S*,5S*,7R*)-1,2,3,5,6,7-Hexahydro-1,3,5,7-tetraethyl-4-(diphenylethylenedioxy)-s-indacene
Wiley ID 803273