(Q104253273)

English

(1S,4E,7R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

group of stereoisomers with the chemical formula C₁₈H₂₃NO₅

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Statements

instance of

group of stereoisomers

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subclass of

pyrrolizidine alkaloid

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inferred from

pyrrolizidine alkaloid

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333.157622836 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₃NO₅

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canonical SMILES

O=C1OC2CCN3CC=C(COC(=O)C(O)(C(=C)CC1=CC)C)C32

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isomeric SMILES

C=C1C/C(=C\C)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@]1(C)O)C23

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Identifiers

InChI

InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15?,18+/m0/s1

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InChIKey

FCEVNJIUIMLVML-MIULREJOSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FCEVNJIUIMLVML-MIULREJOSA-N

1 reference

(Q104253273)

(1S,4E,7R)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

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