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Dinklacorin
SpectraBase Compound ID 17av27wIzS3
InChI InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-21-6-8-30(40-3)26(14-21)25-13-20(5-7-29(25)39)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28?/m0/s1
InChIKey MMGBHVBJOIKWMF-MBMZGMDYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C36H36N2O5
Exact Mass 576.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SwC83zxNUC
Name Dinklacorin
Alternate Name(s) (4(12)S)-1(6),4(6)-dimethoxy-4(2),4(11)-dimethyl-4(1),4(2),4(3),4(4),4(9),4(10),4(11),4(12)-octahydro-4(1,12)-[1,4]dioxino[2,3-g:6,5-h']diisoquinolina-1,2(1,3)-dibenzenacyclopentaphan-2(6)-ol
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Formula C36H36N2O5
InChI InChI=1S/C36H36N2O5/c1-37-11-9-22-17-31-32-19-24(22)27(37)15-21-6-8-30(40-3)26(14-21)25-13-20(5-7-29(25)39)16-28-34-23(10-12-38(28)2)18-33(41-4)35(42-31)36(34)43-32/h5-8,13-14,17-19,27-28,39H,9-12,15-16H2,1-4H3/t27-,28?/m0/s1
InChIKey MMGBHVBJOIKWMF-MBMZGMDYSA-N
Molecular Weight 576.693 g/mol
SMILES Oc1ccc2CC3c4c5c(c(cc4CCN3C)OC)Oc3c(O5)cc4c(c3)CCN([C@]4(Cc3ccc(c(-c1c2)c3)OC)[H])C
SPLASH splash10-004j-0209050000-926690c75cd1e26bf1fb
Source of Spectrum APC-319-849-5
Wiley ID 1788318