(Q105300477)

English

(5Z)-5-[(1S,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-[6-(1-Hydroxypropyl)-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

405.215137712 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(5E)-5-[(1R,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

1 reference

1 reference

1 reference

(5E)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

1 reference

based on heuristic

inferred from InChI

5-[(1R,6S,9R,10R,11R,12S)-6-[(1S)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

1 reference

based on heuristic

inferred from InChI

(5E)-5-[(1R,6S,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₁NO₆

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canonical SMILES

O=C1OC(C(OC)=C1C)=C2OC34OC5CCC(N(CCC3)C5C4C2C)C(O)CC

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isomeric SMILES

CC[C@@H](O)[C@H]1CC[C@H]2O[C@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4

0 references

found in taxon

Stemona kerrii

1 reference

stated in

Pyrrolo- and pyridoazepine alkaloids as chemical markers in Stemona species.

Stemona

1 reference

stated in

Insecticidal pyrido[1,2-a]azepine alkaloids and related derivatives from Stemona species

Identifiers

InChI

InChI=1S/C22H31NO6/c1-5-14(24)13-7-8-15-17-16-11(2)19(20-18(26-4)12(3)21(25)27-20)29-22(16,28-15)9-6-10-23(13)17/h11,13-17,24H,5-10H2,1-4H3/b20-19-/t11-,13+,14+,15+,16+,17-,22-/m0/s1

0 references

InChIKey

WAULTDWQPCNZBI-BAVDRRBXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WAULTDWQPCNZBI-BAVDRRBXSA-N

(Q105300477)

(5Z)-5-[(1S,6R,9R,10R,11R,12S)-6-[(1R)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.01,11.05,10]pentadecan-13-ylidene]-4-methoxy-3-methylfuran-2-one

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