(Q105385321)

English

(5S)-3-[6alpha-[(R)-2-Oxo-7-hydroxy-7-[(2R)-5alpha-[(R)-1-hydroxytridecyl]tetrahydrofuran-2beta-yl]heptyl]tetrahydro-2H-pyran-2alpha-ylmethyl]-5-methyl-2,5-dihydrofuran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-[[6-[7-hydroxy-7-[5-(1-hydroxytridecyl)oxolan-2-yl]-2-oxoheptyl]oxan-2-yl]methyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

592.43390426 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,6S,10R,17S,18S,21R,22R)-2,17,22-Trihydroxy-6,10:18,21-diepoxy-12-oxo-tetratriacontane-3-ene-4-carboxylic acid 4,2-lactone

1 reference

based on heuristic

inferred from InChI

(2R)-4-[[(2S,6R)-6-[(7R)-7-hydroxy-7-[(2R,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxoheptyl]oxan-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)CCCCC(O)C3OC(CC3)C(O)CCCCCCCCCCCC)CCC2)C

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isomeric SMILES

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

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found in taxon

Annona montana

1 reference

stated in

Four mono-tetrahydrofuran ring acetogenins, montanacins B-E, from Annona montana

Identifiers

InChI

InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-12-19-31(37)33-21-22-34(42-33)32(38)20-14-13-16-28(36)25-30-18-15-17-29(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

0 references

InChIKey

ZWYPFAOMSUWVRZ-HDNXFVRQSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ZWYPFAOMSUWVRZ-HDNXFVRQSA-N

1 reference

(Q105385321)

(5S)-3-[6alpha-[(R)-2-Oxo-7-hydroxy-7-[(2R)-5alpha-[(R)-1-hydroxytridecyl]tetrahydrofuran-2beta-yl]heptyl]tetrahydro-2H-pyran-2alpha-ylmethyl]-5-methyl-2,5-dihydrofuran-2-one

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