(Q105192443)

English

(2S)-2-methyl-4-[9-[(2S,5R)-5-[(1R,4R,5R,8R,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-methyl-4-[9-[5-(1,4,5,8,9-pentahydroxynonadecyl)oxolan-2-yl]nonyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

640.491419136 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-methyl-4-[9-[(2R,5R)-5-[(1S,4R,5S,8R,9S)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChIKey

(2S)-2-methyl-4-[9-[(2R,5R)-5-[(1R,4S,5R,8S,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₇H₆₈O₈

0 references

canonical SMILES

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

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isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@H](O)CC[C@@H](O)[C@H](O)CC[C@@H](O)[C@H]1CC[C@H](CCCCCCCCCC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona squamosa

1 reference

stated in

Mono-tetrahydrofuran annonaceous acetogenins from Annona squamosa as cytotoxic agents and calcium ion chelators

Identifiers

InChI

InChI=1S/C37H68O8/c1-3-4-5-6-7-11-14-17-20-31(38)32(39)22-23-33(40)34(41)24-25-35(42)36-26-21-30(45-36)19-16-13-10-8-9-12-15-18-29-27-28(2)44-37(29)43/h27-28,30-36,38-42H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+,35+,36+/m0/s1

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InChIKey

OICKTCBVAYOJGE-WGCJABNLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105192443)

(2S)-2-methyl-4-[9-[(2S,5R)-5-[(1R,4R,5R,8R,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one

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Identifiers

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