(Q104394887)

English

Lycorenan-7-one, 5-(((5-(ethoxycarbonyl)-2,6-dimethyl-3-pyridinyl)carbonyl)oxy)-4,12-dihydro-1-methyl-9,10-(methylenebis(oxy))-,5alpha,12beta,13beta)-

group of stereoisomers with the chemical formula C₂₈H₃₀N₂O₈

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Statements

instance of

group of stereoisomers

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subclass of

lycorenine-type alkaloid

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inferred from

lycorenine-type alkaloid

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522.2002159199999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₀N₂O₈

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canonical SMILES

O=C(OCC)C=1C=C(C(=O)OC2CC3CCN(C)C3C4C5=CC=6OCOC6C=C5C(=O)OC24)C(=NC1C)C

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isomeric SMILES

CCOC(=O)c1cc(C(=O)OC2C[C@H]3CCN(C)[C@H]3[C@@H]3c4cc5c(cc4C(=O)O[C@@H]23)OCO5)c(C)nc1C

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Identifiers

InChI

InChI=1S/C28H30N2O8/c1-5-34-26(31)16-9-17(14(3)29-13(16)2)27(32)37-22-8-15-6-7-30(4)24(15)23-18-10-20-21(36-12-35-20)11-19(18)28(33)38-25(22)23/h9-11,15,22-25H,5-8,12H2,1-4H3/t15-,22?,23+,24-,25+/m1/s1

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InChIKey

CIGBOXJOIYMZFE-XFDKXYDFSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CIGBOXJOIYMZFE-XFDKXYDFSA-N

1 reference

(Q104394887)

Lycorenan-7-one, 5-(((5-(ethoxycarbonyl)-2,6-dimethyl-3-pyridinyl)carbonyl)oxy)-4,12-dihydro-1-methyl-9,10-(methylenebis(oxy))-,5alpha,12beta,13beta)-

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