(5S)-3-[(13R)-13-[(2R,2'S,5R,5'R)-5'-[(1R,5S)-1,5-Dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone (Q104973481)

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chemical compound

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Language	Label	Description	Also known as
English	(5S)-3-[(13R)-13-[(2R,2'S,5R,5'R)-5'-[(1R,5S)-1,5-Dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-2(5H)-furanone	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

Asitribin

1 reference

based on heuristic

inferred from SMILES

carolin A

1 reference

based on heuristic

inferred from SMILES

(5S)-3-[(13R)-13-[(2R,2'R,5'R)-5'-[(1R,5S)-1,5-dihydroxyundecyl]-[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl]-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-[(13R)-13-[(2S,5S)-5-[(2R,5S)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-4-[(13R)-13-[(2S,5R)-5-[(2R,5R)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(13S)-13-[(2S,5S)-5-[(2S,5S)-5-[(1R,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Squamocin-D

1 reference

based on heuristic

inferred from InChIKey

(2S)-4-[(13R)-13-[(2S,5R)-5-[(2R,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Annonin I

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(13R)-13-[(2R,5S)-5-[(2R,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(13S)-13-[(2R,5S)-5-[(2R,5S)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(13R)-13-[(2S,5R)-5-[(2R,5S)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

Rel-squamocin

1 reference

based on heuristic

inferred from InChI

(2S)-4-[(13S)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5R)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(13S)-13-[(2S,5S)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

squamocin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCC(O)CCCCCC)C

0 references

isomeric SMILES

CCCCCC[C@H](O)CCC[C@@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1

0 references

found in taxon

Asimina triloba

2 references

stated in

Asitribin and Asiminenins A and B, Novel Bioactive Annonaceous Acetogenins from the Seeds of Asimina triloba

stated in

Asimilobin and cis- and trans-murisolinones, novel bioactive Annonaceous acetogenins from the seeds of Asimina triloba.

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+,35+,36-/m0/s1

0 references

InChIKey

DAEFUOXKPZLQMM-RAOOHMRESA-N

0 references

CAS Registry Number

168113-64-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

10416458

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DAEFUOXKPZLQMM-RAOOHMRESA-N

UniChem compound ID

32300529

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID101101202

1 reference

matched by identifier from

InChIKey

InChIKey

DAEFUOXKPZLQMM-RAOOHMRESA-N

 

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