(Q104397553)

English

(-)-Neferine

group of stereoisomers with the chemical formula C₃₈H₄₄N₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

mass

624.3199371279999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₄₄N₂O₆

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canonical SMILES

OC1=CC=C(C=C1OC=2C=C3C(=CC2OC)CCN(C)C3CC4=CC=C(OC)C=C4)CC5C6=CC(OC)=C(OC)C=C6CCN5C

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isomeric SMILES

COc1ccc(CC2c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CCN2C)cc1

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Identifiers

InChI

InChI=1S/C38H44N2O6/c1-39-15-14-27-21-36(44-5)38(23-30(27)31(39)17-24-7-10-28(42-3)11-8-24)46-34-19-25(9-12-33(34)41)18-32-29-22-37(45-6)35(43-4)20-26(29)13-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31?,32-/m1/s1

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InChIKey

MIBATSHDJRIUJK-IADGFXSZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

MIBATSHDJRIUJK-IADGFXSZSA-N

1 reference

(Q104397553)

(-)-Neferine

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Identifiers

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