(Q104973465)

English

Squamocin-D

chemical compound

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instance of

type of chemical entity

0 references

1 reference

(5S)-3-[(13R)-13-[(2R,2'R,5'R)-5'-[(1R,5S)-1,5-dihydroxyundecyl]-[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl]-5-methyl-5H-furan-2-one

1 reference

1 reference

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(13S)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

(2R)-4-[(13S)-13-[(2S,5S)-5-[(2S,5S)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(13S)-13-[(2R,5S)-5-[(2R,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(13R)-13-[(2S,5S)-5-[(2R,5S)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(13R)-13-[(2R,5S)-5-[(2R,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2S)-4-[(13R)-13-[(2S,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(13R)-13-[(2S,5R)-5-[(2R,5S)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(5S)-3-[(13R)-13-[(2R,2'S,5R,5'R)-5'-[(1R,5S)-1,5-Dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone

1 reference

1 reference

(2S)-4-[(13R)-13-[(2S,5R)-5-[(2R,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(13S)-13-[(2S,5S)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

1 reference

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCC(O)CCCCCC)C

0 references

isomeric SMILES

CCCCCC[C@@H](O)CCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona reticulata

1 reference

stated in

Squamocin and Rolliniastatin I from the Seeds of Annona reticulata

Annona squamosa

1 reference

stated in

Annonaceous Acetogenins from the Seeds of Annona squamosa. Adjacent Bis-tetrahydrofuranic Acetogenins.

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(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

DAEFUOXKPZLQMM-GYMJCHTMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DAEFUOXKPZLQMM-GYMJCHTMSA-N

1 reference

(Q104973465)

Squamocin-D

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