(Q105299710)

English

(2R)-4-[9-[(2R,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5R)-3-{9-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl}-5-methyl-5H-furan-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

12,24-Diepi-4-deoxybullatanocin

1 reference

based on heuristic

inferred from InChI

(2S)-4-[9-[(2R,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2S)-4-[9-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCC2OC(CC2)C(O)CCC(O)C3OC(CC3)C(O)CCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]([C@H](O)CC[C@@H](O)[C@@H]2CC[C@@H](CCCCCCCCCC3=C[C@@H](C)OC3=O)O2)O1

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found in taxon

Annona squamosa

1 reference

stated in

Cytotoxic bistetrahydrofuran annonaceous acetogenins from the seeds of Annona squamosa

Identifiers

InChI

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

VZEPVAAWZDUQLP-JOARZRRZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZEPVAAWZDUQLP-JOARZRRZSA-N

1 reference

(Q105299710)

(2R)-4-[9-[(2R,5S)-5-[(1R,4R)-1,4-dihydroxy-4-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

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