(Q105285522)

English

(5S)-3-[(2R)-2-Hydroxy-7-[(2S,5S)-tetrahydro-5-[(1S,4S,5S)-1,4,5-trihydroxynonadecyl]-2-furanyl]heptyl]-5-methyl-2(5H)-furanone

chemical compound

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instance of

type of chemical entity

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subclass of

(2S)-4-[(2R)-2-hydroxy-7-[(2S,5R)-5-[(1S)-1,4,5-trihydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

1 reference

1 reference

596.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-[(2S)-2-hydroxy-7-[(2R,5R)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(2S)-2-hydroxy-7-[(2S,5R)-5-[(1S,4R,5S)-1,4,5-trihydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-{2-Hydroxy-7-[5-(1,4,5-trihydroxynonadecyl)oxolan-2-yl]heptyl}-5-methylfuran-2(5H)-one

1 reference

based on heuristic

inferred from InChI

(2S)-4-[(2R)-2-hydroxy-7-[(2S,5S)-5-[(1S,4R,5R)-1,4,5-trihydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

1 reference

1 reference

1 reference

(2R)-4-[(2S)-2-hydroxy-7-[(2S,5R)-5-[(1R,4S,5S)-1,4,5-trihydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC2OC(CC2)C(O)CCC(O)C(O)CCCCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCCC[C@H](O)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@H](CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona muricata

1 reference

stated in

Muricatetrocins A and B and Gigantetrocin B: Three New Cytotoxic Monotetrahydrofuran-Ring Acetogenins from Annona muricata

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-14-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33-,34-/m0/s1

0 references

InChIKey

VFRBLIGIRLWBKM-DILKLTJASA-N

0 references

CAS Registry Number

134955-48-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VFRBLIGIRLWBKM-DILKLTJASA-N

DSSTox substance ID

DTXSID601103227

1 reference

matched by identifier from

InChIKey

VFRBLIGIRLWBKM-DILKLTJASA-N

KNApSAcK ID

C00053257

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VFRBLIGIRLWBKM-DILKLTJASA-N

UNII

7P3XM665HG

1 reference

matched by identifier from

InChIKey

VFRBLIGIRLWBKM-DILKLTJASA-N

(Q105285522)

(5S)-3-[(2R)-2-Hydroxy-7-[(2S,5S)-tetrahydro-5-[(1S,4S,5S)-1,4,5-trihydroxynonadecyl]-2-furanyl]heptyl]-5-methyl-2(5H)-furanone

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