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1,4,9,12-Tetramethoxy-cis,cis,cis,cis-4b,8b,12b,13,15,15a-hexahydro-14H-dibenzo[2,3:4,5]pentaleno[1,6-jk]fluoren-14-one
SpectraBase Compound ID FY4nWpHMhzN
InChI InChI=1S/C30H28O5/c1-32-20-9-11-22(34-3)26-24(20)18-13-15(31)14-19-25-21(33-2)10-12-23(35-4)27(25)29-17-8-6-5-7-16(17)28(26)30(18,19)29/h5-12,18-19,28-29H,13-14H2,1-4H3/t18-,19-,28-,29-,30?/m1/s1
InChIKey IGZKJSBTEGSBNL-KBMPGLMPSA-N
Mol Weight 468.55 g/mol
Molecular Formula C30H28O5
Exact Mass 468.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19dAPvae4tL
Name 1,4,9,12-Tetramethoxy-cis,cis,cis,cis-4b,8b,12b,13,15,15a-hexahydro-14H-dibenzo[2,3:4,5]pentaleno[1,6-jk]fluoren-14-one
Appearance Colorless powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.193673997 u
Formula C30H28O5
InChI InChI=1S/C30H28O5/c1-32-20-9-11-22(34-3)26-24(20)18-13-15(31)14-19-25-21(33-2)10-12-23(35-4)27(25)29-17-8-6-5-7-16(17)28(26)30(18,19)29/h5-12,18-19,28-29H,13-14H2,1-4H3/t18-,19-,28-,29-,30?/m1/s1
InChIKey IGZKJSBTEGSBNL-KBMPGLMPSA-N
Instrument Name Fisons VG Autospec
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201707505
Molecular Weight 468.549 g/mol
Quality 948
SMILES C12=C([C@@]3(C45[C@@]2(C2=C([C@@]5(C5=C([C@]4(CC(C3)=O)[H])C(=CC=C5OC)OC)[H])C=CC=C2)[H])[H])C(=CC=C1OC)OC
SPLASH splash10-014i-0222900000-c6641e3755811093a5d4
Source of Spectrum ACI-56-SM45-21 (DOI: 10.1002/anie.201707505)
Thin-Layer Chromatography 0.68 (hexane/EtOAc, 1:1)
Wiley ID 1896374