(Q105140770)

English

(3R,5R)-Dihydro-5-[(11R)-11-hydroxy-11-[(2R,2'S,5R,5'R)-octahydro-5'-[(1R)-1-hydroxyundecyl][2,2'-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-2(3H)-furanone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C1

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isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H]3C[C@H](CC(C)=O)C(=O)O3)O2)O1

0 references

found in taxon

Asimina triloba

1 reference

stated in

Additional bioactive annonaceous acetogenins from Asimina triloba (Annonaceae)

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30+,31+,32+,33+,34+,35-,36+/m0/s1

0 references

InChIKey

KGGVWMAPBXIMEM-YWNYESAZSA-N

0 references

CAS Registry Number

189686-30-4

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

KGGVWMAPBXIMEM-YWNYESAZSA-N

DSSTox substance ID

DTXSID201100221

1 reference

matched by identifier from

InChIKey

KGGVWMAPBXIMEM-YWNYESAZSA-N

KNApSAcK ID

C00057994

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KGGVWMAPBXIMEM-YWNYESAZSA-N

(Q105140770)

(3R,5R)-Dihydro-5-[(11R)-11-hydroxy-11-[(2R,2'S,5R,5'R)-octahydro-5'-[(1R)-1-hydroxyundecyl][2,2'-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-2(3H)-furanone

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