(Q104253201)

English

methyl (1S,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

group of stereoisomers with the chemical formula C₂₁H₂₄N₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

mitraphylline-type alkaloid

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inferred from

mitraphylline-type alkaloid

mass

368.173607248 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₄N₂O₄

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canonical SMILES

COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12

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isomeric SMILES

COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccccc54)[C@@H]3CC12

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Identifiers

InChI

InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13?,14-,18-,21-/m0/s1

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InChIKey

JMIAZDVHNCCPDM-KYTNJUKWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JMIAZDVHNCCPDM-KYTNJUKWSA-N

1 reference

(Q104253201)

methyl (1S,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

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