(Q105298223)

English

(5Z)-5-[(1S,4S,5R,8S,9R,10R,13R)-9-[(E)-but-1-enyl]-4-methyl-10-oxido-2,14-dioxa-10-azoniapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one

group of stereoisomers with the chemical formula C₂₂H₂₇NO₆

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Statements

instance of

group of stereoisomers

0 references

1 reference

pyrrolizidine alkaloid

1 reference

inferred from

pyrrolizidine alkaloid

1 reference

401.183837584 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₇NO₆

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canonical SMILES

O=C1OC(C(OC)=C1C)=C2OC34OC5CC(C3C2C)[N+]6([O-])CCC4C56C=CCC

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isomeric SMILES

CC/C=C/[C@]12[C@@H]3CC4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CC[N@@+]42[O-]

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found in taxon

Stemona

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stated in

Phytochemical studies on Stemona plants: isolation of stemofoline alkaloids

Identifiers

InChI

InChI=1S/C22H27NO6/c1-5-6-8-21-14-7-9-23(21,25)13-10-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(24)27-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13?,14+,15-,16+,21+,22+,23+/m0/s1

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InChIKey

VWQGQBAVFGGKLV-QIBCKAEJSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105298223)

(5Z)-5-[(1S,4S,5R,8S,9R,10R,13R)-9-[(E)-but-1-enyl]-4-methyl-10-oxido-2,14-dioxa-10-azoniapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-4-methoxy-3-methylfuran-2-one

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