(Q105001284)

English

(3S,4R,5R)-4-hydroxy-3-[(13S)-13-hydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

4-Hydroxy-3-[13-hydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

624.496504516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4R,5S)-4-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,4R,5S)-4-hydroxy-3-[(13S)-13-hydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one

1 reference

1 reference

C₃₇H₆₈O₇

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canonical SMILES

O=C1OC(C)C(O)C1CCCCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC

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isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](O)CCCCCCCCCCCC[C@@H]3C(=O)O[C@H](C)[C@@H]3O)O2)O1

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found in taxon

Annona cherimolia

1 reference

stated in

Bioactive acetogenins from seeds of Annona cherimolia

Annona cherimola

1 reference

stated in

Bioactive acetogenins from seeds of Annona cherimolia

Identifiers

InChI

InChI=1S/C37H68O7/c1-3-4-5-6-7-13-16-19-22-30(38)32-24-26-34(43-32)35-27-25-33(44-35)31(39)23-20-17-14-11-9-8-10-12-15-18-21-29-36(40)28(2)42-37(29)41/h28-36,38-40H,3-27H2,1-2H3/t28-,29+,30-,31+,32+,33+,34+,35+,36+/m1/s1

0 references

InChIKey

FTTBSOBXDJECAA-BVYKOBTPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FTTBSOBXDJECAA-BVYKOBTPSA-N

(Q105001284)

(3S,4R,5R)-4-hydroxy-3-[(13S)-13-hydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-5-methyloxolan-2-one

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