(Q105338080)

English

(5S)-3-[(2R)-2-Hydroxy-9-[(2S,2'S,5R,5'R)-octahydro-5'-[(1R,4R,5R)-1,4,5-trihydroxypentadecyl][2,2'-bifuran]-5-yl]nonyl]-5-methyl-2(5H)-furanone

chemical compound

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instance of

type of chemical entity

0 references

1 reference

638.475769072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R)-3-[(2S)-2-hydroxy-9-[(2R,2'R,5S,5'S)-5'-[(1S,4R,5S)-1,4,5-trihydroxypentadecyl]-[2,2'-bioxolan]-5-yl]nonyl]-5-methyl-5H-furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

C₃₇H₆₆O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@H](O)CC[C@@H](O)[C@H]1CC[C@@H]([C@@H]2CC[C@@H](CCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona mucosa

2 references

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

stated in

Applying Mosher's method to acetogenins bearing vicinal diols. The absolute configurations of muricatetrocin C and rollidecins A and B, new bioactive acetogenins from Rollinia mucosa

Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)32(40)20-21-33(41)34-23-24-36(45-34)35-22-19-30(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

0 references

InChIKey

XPAKKKLOWFSUAV-LLLOXARXSA-N

0 references

CAS Registry Number

182074-35-7

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

XPAKKKLOWFSUAV-LLLOXARXSA-N

DSSTox substance ID

DTXSID401100722

1 reference

matched by identifier from

InChIKey

XPAKKKLOWFSUAV-LLLOXARXSA-N

(Q105338080)

(5S)-3-[(2R)-2-Hydroxy-9-[(2S,2'S,5R,5'R)-octahydro-5'-[(1R,4R,5R)-1,4,5-trihydroxypentadecyl][2,2'-bifuran]-5-yl]nonyl]-5-methyl-2(5H)-furanone

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Identifiers

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