(Q104986483)

English

(3S,5S)-Dihydro-5-[(11R)-11-hydroxy-11-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]undecyl]-3-(2-oxopropyl)-2(3H)-furanone

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5-[11-Hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

580.470289768 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,5S)-5-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₆

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canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C1

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isomeric SMILES

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

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found in taxon

Annona reticulata

1 reference

stated in

Acetogenins from seeds of Annona reticulata

Identifiers

InChI

InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h29-34,37-38H,3-27H2,1-2H3/t29-,30+,31-,32-,33-,34-/m1/s1

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InChIKey

DPGGJXIYFHNDLV-VQEIZDKSSA-N

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CAS Registry Number

172489-11-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DPGGJXIYFHNDLV-VQEIZDKSSA-N

DSSTox substance ID

DTXSID101101757

1 reference

matched by identifier from

InChIKey

DPGGJXIYFHNDLV-VQEIZDKSSA-N

(Q104986483)

(3S,5S)-Dihydro-5-[(11R)-11-hydroxy-11-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]undecyl]-3-(2-oxopropyl)-2(3H)-furanone

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Identifiers

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