(Q105325494)

English

(2S)-4-[(2S)-2-hydroxy-12-[(2R,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[2-hydroxy-12-[5-[5-(1-hydroxydecyl)oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

578.454639704 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(2S)-2-hydroxy-12-[(2R,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₂O₆

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC2OC(CC2)C3OC(CC3)C(O)CCCCCCCCC)C

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isomeric SMILES

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

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found in taxon

Annona muricata

1 reference

stated in

New adjacent Bis-tetrahydrofuran Annonaceous acetogenins from Annona muricata

Identifiers

InChI

InChI=1S/C35H62O6/c1-3-4-5-6-9-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-8-7-10-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3/t27-,29-,30+,31-,32-,33+,34+/m0/s1

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InChIKey

XCXFDOLZQKIYBP-RBJVUHLPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCXFDOLZQKIYBP-RBJVUHLPSA-N

1 reference

(Q105325494)

(2S)-4-[(2S)-2-hydroxy-12-[(2R,5R)-5-[(2R,5S)-5-[(1S)-1-hydroxydecyl]oxolan-2-yl]oxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one

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Identifiers

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