(Q105204185)

English

(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

3-(2,13-dihydroxy-13-{5-[(4Z)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl}tridecyl)-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

4-[2,13-dihydroxy-13-[5-(1-hydroxypentadec-4-enyl)oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

(5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(4E)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl]tridecyl]-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

606.485939832 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(Z,1S)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₆

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Asimina triloba

1 reference

stated in

Asitribin and Asiminenins A and B, Novel Bioactive Annonaceous Acetogenins from the Seeds of Asimina triloba

Identifiers

InChI

InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15-/t30-,32+,33+,34+,35-,36+/m0/s1

0 references

InChIKey

OZWNHDYKRQUFSF-KWKSOTNWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZWNHDYKRQUFSF-KWKSOTNWSA-N

1 reference

(Q105204185)

(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(Z,1R)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

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