(Q105302790)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

4-[[5-[8-hydroxy-8-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

592.43390426 dalton

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₀O₇

0 references

canonical SMILES

O=C1OC(C=C1CC2OC(CC(=O)CCCCCC(O)C3OC(CC3)C(O)CCCCCCCCCCCC)CC2)C

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isomeric SMILES

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

0 references

found in taxon

Xylopia aromatica

2 references

stated in

Aromin and aromicin, two new bioactive annonaceous acetogenins, possessing an unusual bis-THF ring structure, from Xylopia aromatica (Annonaceae)

stated in

Aromin and aromicin, two new bioactive annonaceous acetogenins, possessing an unusual bis-THF ring structure, from Xylopia aromatica (Annonaceae)

Annona montana

1 reference

stated in

ChemInform Abstract: Tucupentol, a Novel Mono-tetrahydrofuranic Acetogenin from Annona montana, as a Potent Inhibitor of Mitochondrial Complex I.

Identifiers

InChI

InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29+,30+,31+,32+,33+,34+/m0/s1

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InChIKey

WDZXYNFQDMBPPE-LSWVMVTNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDZXYNFQDMBPPE-LSWVMVTNSA-N

1 reference

(Q105302790)

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

Statements

Identifiers

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