(Q105331831)

English

(2R)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

(5S)-5-methyl-3-{2,8,13-trihydroxy-13-[(2R,5S)-5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

596.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-methyl-4-[(2R,8S,13S)-2,8,13-trihydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChIKey

(2S)-2-methyl-4-[(2R,8S,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2S,8S,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2S,8R,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(S)-3-[(2R,8R,13R)-13-[(2R)-5alpha-[(S)-1-Hydroxytridecyl]tetrahydrofuran-2beta-yl]-2,8,13-trihydroxytridecyl]-5-methylfuran-2(5H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2S,8R,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

(2S)-2-methyl-4-[(2R,8S,13R)-2,8,13-trihydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC(O)CCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCC[C@H](O)CCCCC[C@H](O)CC2=C[C@@H](C)OC2=O)O1

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found in taxon

Annona glabra

1 reference

stated in

Chemical Constituents fromAnnona Glabra

Annona glauca

1 reference

stated in

Glaucafilin, an acetogenin from Annona glauca

Annona muricata

1 reference

stated in

Muricatacin: A simple biologically active acetogenin derivative from the seeds of annona muricata (annonaceae)

Annona senegalensis

1 reference

stated in

Annosenegalin and annogalene: two cytotoxic mono-tetrahydrofuran acetogenins from Annona senegalensis and Annona cherimolia

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29-,30+,31-,32-,33-,34-/m1/s1

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InChIKey

XNODZYPOIPVPRF-MOBNURBCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105331831)

(2R)-2-methyl-4-[(2S,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

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