(Q105214391)

English

[(1S)-1-[(2S,5R)-5-[(1S)-1-acetyloxy-13-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]tridecyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

1-[5-[1-acetyloxy-13-(2-methyl-5-oxo-2H-furan-4-yl)tridecyl]oxolan-2-yl]tridecyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

648.496504516 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₈O₇

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canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(OC(=O)C)C2OC(CC2)C(OC(=O)C)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@H](OC(C)=O)[C@@H]1CC[C@H]([C@H](CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)OC(C)=O)O1

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found in taxon

Annona muricata

1 reference

stated in

Two acetogenins from Annona muricata seeds

Identifiers

InChI

InChI=1S/C39H68O7/c1-5-6-7-8-9-10-14-17-20-23-26-35(44-32(3)40)37-28-29-38(46-37)36(45-33(4)41)27-24-21-18-15-12-11-13-16-19-22-25-34-30-31(2)43-39(34)42/h30-31,35-38H,5-29H2,1-4H3/t31-,35+,36+,37+,38-/m1/s1

0 references

InChIKey

PSTPUNZWIKIYNV-XOMKFCCDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PSTPUNZWIKIYNV-XOMKFCCDSA-N

(Q105214391)

[(1S)-1-[(2S,5R)-5-[(1S)-1-acetyloxy-13-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]tridecyl] acetate

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Identifiers

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