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Stepierrine
SpectraBase Compound ID 8fG8oXNCt3a
InChI InChI=1S/C35H32N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-/m0/s1
InChIKey ZWGJUTHSSSKIEX-MHZLTWQESA-N
Mol Weight 576.6 g/mol
Molecular Formula C35H32N2O6
Exact Mass 576.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaiGAT6IFkd
Name Stepierrine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H32N2O6
InChI InChI=1S/C35H32N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-/m0/s1
InChIKey ZWGJUTHSSSKIEX-MHZLTWQESA-N
Molecular Weight 576.649 g/mol
SMILES Oc1c(cc2ccnc3c2c1Oc1cc2[C@](Cc4ccc(Oc5cc(ccc5O)C3)cc4)(N(CCc2cc1OC)C)[H])OC
SPLASH splash10-004i-0500090000-19210968bc0879c5350a
Source of Spectrum X2-52-850-2
Synonyms Dehatridine
Wiley ID 1603176