(Q104962511)

English

5-[(1R,4R,5S,6R,8R,9R,13S)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(5E)-5-[(1R,4R,5S,6R,8R,9R,13S)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one

1 reference

based on heuristic

inferred from SMILES

5-(9-Butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene)-3-(hydroxymethyl)-4-methoxyfuran-2-one

1 reference

based on heuristic

inferred from SMILES

(5Z)-5-[(1R,4S,5R,6S,8S,9S,13R)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one

1 reference

based on heuristic

inferred from SMILES

(5E)-5-[(1R,4S,5R,6S,8S,9S,13R)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

403.199487648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₉NO₆

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canonical SMILES

O=C1OC(C(OC)=C1CO)=C2OC34OC5CC(N6CCC3C65CCCC)C4C2C

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isomeric SMILES

CCCC[C@]12[C@@H]3CCN1[C@@H]1C[C@H]2O[C@]32OC(=C3OC(=O)C(CO)=C3OC)[C@H](C)[C@@H]12

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found in taxon

Stemona japonica

1 reference

stated in

Alkaloids from stems and leaves of Stemona japonica and their insecticidal activities

Identifiers

InChI

InChI=1S/C22H29NO6/c1-4-5-7-21-14-6-8-23(21)13-9-15(21)28-22(14)16(13)11(2)17(29-22)19-18(26-3)12(10-24)20(25)27-19/h11,13-16,24H,4-10H2,1-3H3/t11-,13-,14+,15-,16+,21-,22+/m1/s1

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InChIKey

CKLSVRXBFWXLDE-BTLSHMGJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104962511)

5-[(1R,4R,5S,6R,8R,9R,13S)-9-butyl-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one

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