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6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol

View entire compound with spectra: 1 MS (GC)

6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol
SpectraBase Compound ID 6FBjlsrNwaY
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3
InChIKey XGEAUXVPBXUBKN-UHFFFAOYSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsffOhZo2y1
Name 6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol
Alternate Name(s) Obamegine NSC 251534
CAS Registry Number 57377-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-30-17-22(7-10-29(30)39)16-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3
InChIKey XGEAUXVPBXUBKN-UHFFFAOYSA-N
Molecular Weight 594.708 g/mol
SMILES Oc1c(cc2CCN(C3c2c1Oc1cc2C(Cc4ccc(Oc5c(ccc(C3)c5)O)cc4)N(CCc2cc1OC)C)C)OC
SPLASH splash10-0006-0903050000-2950253d87ea3931bc07
Source of Spectrum J-41-318-0
Wiley ID 1409672