(Q104918934)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

4-[7-[5-[1,4-dihydroxy-4-[5-(1-hydroxytridecyl)oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCC2OC(CC2)C(O)CCC(O)C3OC(CC3)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@H]2CC[C@@H](CCCCCCCC3=C[C@@H](C)OC3=O)O2)O1

0 references

found in taxon

Goniothalamus giganteus

1 reference

stated in

Giganenin, a Highly Potent Monotetrahydrofuran Acetogenin and 4-Deoxygigantecin from Goniothalamus giganteus

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(38)35-25-26-36(44-35)33(40)23-22-32(39)34-24-21-30(43-34)19-16-13-11-12-15-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32+,33-,34-,35+,36-/m1/s1

0 references

InChIKey

AUIKUKHBIJHVLQ-YVNAWMCXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AUIKUKHBIJHVLQ-YVNAWMCXSA-N

(Q104918934)

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

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