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(1S,2S,3S)-1-(3,4-Dimethoxy-benzyl)-2,3-bis-(3,4-dimethoxy-phenyl)-5,6-dimethoxy-indan

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(1S,2S,3S)-1-(3,4-Dimethoxy-benzyl)-2,3-bis-(3,4-dimethoxy-phenyl)-5,6-dimethoxy-indan
SpectraBase Compound ID HTnwUaDNyZQ
InChI InChI=1S/C36H40O8/c1-37-27-12-9-21(16-30(27)40-4)15-25-24-19-33(43-7)34(44-8)20-26(24)36(23-11-14-29(39-3)32(18-23)42-6)35(25)22-10-13-28(38-2)31(17-22)41-5/h9-14,16-20,25,35-36H,15H2,1-8H3/t25-,35+,36+/m1/s1
InChIKey QPKSLBDFKMWZDL-YZRVVHFXSA-N
Mol Weight 600.7 g/mol
Molecular Formula C36H40O8
Exact Mass 600.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OwZlf8yvYP
Name (1S,2S,3S)-1-(3,4-Dimethoxy-benzyl)-2,3-bis-(3,4-dimethoxy-phenyl)-5,6-dimethoxy-indan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.272318240 u
Formula C36H40O8
InChI InChI=1S/C36H40O8/c1-37-27-12-9-21(16-30(27)40-4)15-25-24-19-33(43-7)34(44-8)20-26(24)36(23-11-14-29(39-3)32(18-23)42-6)35(25)22-10-13-28(38-2)31(17-22)41-5/h9-14,16-20,25,35-36H,15H2,1-8H3/t25-,35+,36+/m1/s1
InChIKey QPKSLBDFKMWZDL-YZRVVHFXSA-N
Molecular Weight 600.708 g/mol
SMILES C12=C([C@@](CC=3C=C(OC)C(=CC3)OC)([C@@]([C@]1(C=1C=C(OC)C(=CC1)OC)[H])(C=1C=C(OC)C(=CC1)OC)[H])[H])C=C(C(=C2)OC)OC