(Q105136871)

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Aranochlor A

chemical compound

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instance of

type of chemical entity

0 references

1 reference

N-(4-chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl)-4,6-dimethyldodeca-2,4-dienamide

1 reference

based on heuristic

inferred from SMILES

(2E,4E)-N-[(1S,2S,4'S,5'R,6S)-4-chloro-5'-hydroxy-5-oxo-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-3-en-4'-yl]-4,6-dimethyldodeca-2,4-dienimidic acid

1 reference

1 reference

437.196900804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2E,4E,6R)-N-[(1R,2S,2'R,3'S,6S)-4-chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2E,4E,6R)-N-[(1S,2S,2'R,3'R,6R)-4-chloro-2'-hydroxy-5-oxospiro[7-oxabicyclo[4.1.0]hept-3-ene-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂ClNO₅

0 references

canonical SMILES

CCCCCCC(C)C=C(C)C=CC(=O)NC1CC2(C=C(Cl)C(=O)C3OC32)OC1O

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isomeric SMILES

CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)C(=O)[C@@H]3O[C@@H]32)O[C@H]1O

0 references

found in taxon

Pseudoarachniotus roseus

1 reference

stated in

Aranochlor A and aranochlor B, two new metabolites from Pseudoarachniotus roseus: production, isolation, structure elucidation and biological properties

Identifiers

InChI

InChI=1S/C23H32ClNO5/c1-4-5-6-7-8-14(2)11-15(3)9-10-18(26)25-17-13-23(30-22(17)28)12-16(24)19(27)20-21(23)29-20/h9-12,14,17,20-22,28H,4-8,13H2,1-3H3,(H,25,26)/b10-9+,15-11+/t14-,17+,20+,21+,22-,23+/m1/s1

0 references

InChIKey

JXZMSDXQKQMWKD-IDAJJKNKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXZMSDXQKQMWKD-IDAJJKNKSA-N

1 reference

(Q105136871)

Aranochlor A

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