(Q105313429)

English

(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-Methyl-3-[2,13-dihydroxy-8-oxo-13-[[tetrahydro-5-(1-hydroxytridecyl)furan]-2-yl]tridecyl]-2(5H)-furanone

1 reference

1 reference

594.449554324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₂O₇

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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)CCCCC(=O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona muricata

1 reference

stated in

Five novel mono-tetrahydrofuran ring acetogenins from the seeds of Annona muricata

Annona montana

1 reference

stated in

Nine new cytotoxic monotetrahydrofuranic Annonaceous acetogenins from Annona montana.

Identifiers

InChI

InChI=1S/C35H62O7/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/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32+,33-,34+/m0/s1

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InChIKey

WVAPCAKZINGVII-WOHTVGPXSA-N

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CAS Registry Number

172488-91-4

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

WVAPCAKZINGVII-WOHTVGPXSA-N

(Q105313429)

(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

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Identifiers

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