(Q105209572)

English

(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone

chemical compound

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instance of

type of chemical entity

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subclass of

3-(9-{5-[4-(6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl]oxolan-2-yl}-2-hydroxynonyl)-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

3-{9-[(2R)-5-[(1S,4S)-4-(6-decyl-5-hydroxyoxan-2-yl)-1,4-dihydroxybutyl]oxolan-2-yl]-2-hydroxynonyl}-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

638.475769072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆O₈

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCC2OC(CC2)C(O)CCC(O)C3OC(CCCCCCCCCC)C(O)CC3)C

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isomeric SMILES

CCCCCCCCCC[C@@H]1O[C@H]([C@@H](O)CC[C@H](O)[C@@H]2CC[C@@H](CCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)CC[C@H]1O

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found in taxon

Annona mucosa

3 references

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

stated in

Mucocin: A New Annonaceous Acetogenin Bearing a Tetrahydropyran Ring

stated in

Mucocin: A New Annonaceous Acetogenin Bearing a Tetrahydropyran Ring

Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-34-33(41)22-24-36(45-34)32(40)21-20-31(39)35-23-19-30(44-35)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32-,33+,34-,35-,36-/m0/s1

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InChIKey

PIKSSLVYUFERQJ-OKPRCEDISA-N

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CAS Registry Number

170591-47-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

PIKSSLVYUFERQJ-OKPRCEDISA-N

1 reference

1 reference

matched by identifier from

InChIKey

PIKSSLVYUFERQJ-OKPRCEDISA-N

(Q105209572)

(5S)-3-[(2R)-9-[(2R,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxynonyl]-5-methyl-2(5H)-furanone

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