(Q105000957)

English

(2R)-4-[(2S)-7-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[7-(5-{1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl}oxolan-2-yl)-2-hydroxyheptyl]-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

(2S)-4-[(2R)-7-[5-[1,4-dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

610.444468944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(2R)-7-[(2S,5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₂O₈

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC2OC(CC2)C(O)CCC(O)C3OC(CC3)C(O)CCCCCCCCCC)C

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isomeric SMILES

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

0 references

found in taxon

Asimina parviflora

1 reference

stated in

Parvifloracin and parviflorin: cytotoxic bistetrahydrofuran acetogenins with 35 carbons from Asimina parviflora (Annonaceae)

Identifiers

InChI

InChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-13-16-29(37)33-21-22-34(43-33)31(39)19-18-30(38)32-20-17-28(42-32)15-12-10-11-14-27(36)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3/t25-,27+,28-,29+,30+,31-,32-,33+,34-/m1/s1

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InChIKey

FTBUPRVFMAYNFL-IRGKMCOISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FTBUPRVFMAYNFL-IRGKMCOISA-N

(Q105000957)

(2R)-4-[(2S)-7-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]-2-hydroxyheptyl]-2-methyl-2H-furan-5-one

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Identifiers

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