(Q105091149)

English

(2S)-4-[(2R,8S)-2,8-dihydroxy-9-[(2S,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-[2,8-dihydroxy-9-[5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

1 reference

1 reference

594.449554324 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(2R,8R)-2,8-dihydroxy-9-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-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)CC2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H]2CC[C@@H](C[C@@H](O)CCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1

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found in taxon

Annona mucosa

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32-21-22-34(42-32)33-20-19-30(41-33)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)40-35(27)39/h23,26,28-34,36-38H,3-22,24-25H2,1-2H3/t26-,28+,29-,30-,31-,32-,33+,34+/m0/s1

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InChIKey

AAJKTJJGBYWRHK-GJCPBGCDSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AAJKTJJGBYWRHK-GJCPBGCDSA-N

1 reference

(Q105091149)

(2S)-4-[(2R,8S)-2,8-dihydroxy-9-[(2S,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

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