(Q105023479)

English

(2R)-4-[(2S,11S)-2,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5S)-3-{2,11-dihydroxy-11-[(2'R,5R)-5'-(1-hydroxytridecyl)-[2,2'-bioxolan]-5-yl]undecyl}-5-methyl-5H-furan-2-one

1 reference

1 reference

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

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

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found in taxon

Annona glauca

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Annona squamosa

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-11-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33-,34-,35-,36-/m1/s1

0 references

InChIKey

GXZZLWVQYXFTJE-RZQMBMPISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GXZZLWVQYXFTJE-RZQMBMPISA-N

(Q105023479)

(2R)-4-[(2S,11S)-2,11-dihydroxy-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-2-methyl-2H-furan-5-one

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