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Di[(1R)-Menthyl] (9R,10R,11S,12S)-2,6-di-tert-butyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate
SpectraBase Compound ID Dzad6qkTNoU
InChI InChI=1S/C46H66O4/c1-25(2)31-17-13-27(5)21-37(31)49-43(47)41-39-33-19-15-30(46(10,11)12)24-36(33)40(34-20-16-29(23-35(34)39)45(7,8)9)42(41)44(48)50-38-22-28(6)14-18-32(38)26(3)4/h15-16,19-20,23-28,31-32,37-42H,13-14,17-18,21-22H2,1-12H3/t27-,28-,31?,32?,37?,38?,39-,40-,41+,42+/m1/s1
InChIKey HTHBGZHCUGQNEW-NNDSPPJJSA-N
Mol Weight 683.0 g/mol
Molecular Formula C46H66O4
Exact Mass 682.496111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7L5BOxNDwNE
Name Di[(1R)-Menthyl] (9R,10R,11S,12S)-2,6-di-tert-butyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate
Alternate Name(s) bis[(5R)-2-isopropyl-5-methylcyclohexyl](1R,8R,15S,16S)-4,11-ditert-butyltetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
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Formula C46H66O4
InChI InChI=1S/C46H66O4/c1-25(2)31-17-13-27(5)21-37(31)49-43(47)41-39-33-19-15-30(46(10,11)12)24-36(33)40(34-20-16-29(23-35(34)39)45(7,8)9)42(41)44(48)50-38-22-28(6)14-18-32(38)26(3)4/h15-16,19-20,23-28,31-32,37-42H,13-14,17-18,21-22H2,1-12H3/t27-,28-,31?,32?,37?,38?,39-,40-,41+,42+/m1/s1
InChIKey HTHBGZHCUGQNEW-NNDSPPJJSA-N
Molecular Weight 683.030 g/mol
SMILES [C@]12([C@@]([C@](C(OC3C(CC[C@](C3)(C)[H])C(C)C)=O)([H])[C@](c3c1ccc(C(C)(C)C)c3)([H])c1c2cc(C(C)(C)C)cc1)(C(OC1C(CC[C@](C1)(C)[H])C(C)C)=O)[H])[H]
SPLASH splash10-0006-0090000000-7323029c90f0501aeb26
Source of Spectrum QE-6-1221-5
Wiley ID 844691