(Q105033057)

English

(5R)-3-methyl-5-[(2S)-1-{4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5H-furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-methyl-5-(1-{4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl)-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

3-methyl-5-[4-[2-(4-methyl-5-oxo-2H-furan-2-yl)pyrrolidin-1-yl]butylidene]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

317.162708216 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Rel-(Z)-3-methyl-5-(4-((R)-2-((S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)pyrrolidin-1-yl)butylidene)furan-2(5H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5Z)-3-Methyl-5-[4-[(2S)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R)-5alpha-[(2R)-1-[4-[(2E)-4-Methyl-5-oxo-2,5-dihydrofuran-2-ylidene]butyl]-2beta-pyrrolidinyl]-3-methyl-2,5-dihydrofuran-2-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

3-methyl-5-[4-[(2R)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one

1 reference

1 reference

6E-Pandamarilactonine c

1 reference

based on heuristic

inferred from InChI

6E-Pandamarilactonine D

1 reference

based on heuristic

inferred from InChI

3-methyl-5-[4-[(2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₃NO₄

0 references

canonical SMILES

O=C1OC(C=C1C)=CCCCN2CCCC2C3OC(=O)C(=C3)C

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isomeric SMILES

CC1=C/C(=C/CCCN2CCC[C@H]2[C@H]2C=C(C)C(=O)O2)OC1=O

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found in taxon

Pandanus amaryllifolius

3 references

stated in

Isolation and structure elucidation of two new alkaloids, pandamarilactonine-C and -D, from Pandanus amaryllifolius and revision of relative stereochemistry of pandamarilactonine-A and -B by total synthesis

stated in

New pyrrolidine alkaloids from the roots of Pandanus amaryllifolius

stated in

Structure Characterization, Biomimetic Total Synthesis, and Optical Purity of Two New Pyrrolidine Alkaloids, Pandamarilactonine-A and -B, Isolated fromPandanus amaryllifoliusRoxb.

Identifiers

InChI

InChI=1S/C18H23NO4/c1-12-10-14(22-17(12)20)6-3-4-8-19-9-5-7-15(19)16-11-13(2)18(21)23-16/h6,10-11,15-16H,3-5,7-9H2,1-2H3/b14-6-/t15-,16+/m0/s1

0 references

InChIKey

HSICZNIIIPFAAO-VFPQPWSNSA-N

0 references

CAS Registry Number

303008-81-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

HSICZNIIIPFAAO-VFPQPWSNSA-N

(Q105033057)

(5R)-3-methyl-5-[(2S)-1-{4-[(2Z)-4-methyl-5-oxofuran-2-ylidene]butyl}pyrrolidin-2-yl]-5H-furan-2-one

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