(Q115966606)

English

(2S)-2-methyl-4-[(2R,7R,18S)-2,7,18-trihydroxy-18-[(2S,5R)-5-[(1R)-1-hydroxyoctyl]oxolan-2-yl]-5-oxooctadecyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2-methyl-4-[2,7,18-trihydroxy-18-[5-(1-hydroxyoctyl)oxolan-2-yl]-5-oxooctadecyl]-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)-2-methyl-4-[(2R,7S,18S)-2,7,18-trihydroxy-18-[(2S,5S)-5-[(1S)-1-hydroxyoctyl]oxolan-2-yl]-5-oxooctadecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2R,7R,18R)-2,7,18-trihydroxy-18-[(2S,5R)-5-[(1S)-1-hydroxyoctyl]oxolan-2-yl]-5-oxooctadecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₂O₈

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCC(=O)CC(O)CCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCC)C

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isomeric SMILES

CCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCCCCCCCC[C@@H](O)CC(=O)CC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona montana

1 reference

stated in

Montacin and cis-montacin, two new cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona montana.

Identifiers

InChI

InChI=1S/C35H62O8/c1-3-4-5-10-14-17-31(39)33-21-22-34(43-33)32(40)18-15-12-9-7-6-8-11-13-16-28(36)25-30(38)20-19-29(37)24-27-23-26(2)42-35(27)41/h23,26,28-29,31-34,36-37,39-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,31+,32-,33+,34-/m0/s1

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InChIKey

LLIPLAYBUOQFER-GILZBSMMSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

LLIPLAYBUOQFER-GILZBSMMSA-N

1 reference

(Q115966606)

(2S)-2-methyl-4-[(2R,7R,18S)-2,7,18-trihydroxy-18-[(2S,5R)-5-[(1R)-1-hydroxyoctyl]oxolan-2-yl]-5-oxooctadecyl]-2H-furan-5-one

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