(Q105291848)

English

[(3R,3'R,4R,6'S,7S)-7-acetyloxy-3'-hydroxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3R)-3'alpha-Hydroxy-4alpha-(2-methylcrotonoyloxy)-6'alpha,7beta-dimethyl-7-acetoxy-3',4,4',5',6,6',7,8-octahydrospiro[3H-2-benzopyran-3,2'-[2H]pyran]-6,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

434.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₉

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canonical SMILES

O=C(OC1C2=CC(=O)C(OC(=O)C)(C(=O)C2=COC31OC(C)CCC3O)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1C2=CC(=O)[C@](C)(OC(C)=O)C(=O)C2=CO[C@@]12O[C@@H](C)CC[C@H]2O

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found in taxon

Daldinia concentrica

1 reference

stated in

Structures of Daldinins A-C, Three Novel Azaphilone Derivatives from Ascomycetous Fungus Daldinia concentrica.

Hypoxylon fuscum

1 reference

stated in

Cyclic azaphilones daldinins E and F from the ascomycete fungus Hypoxylon fuscum (Xylariaceae).

Identifiers

InChI

InChI=1S/C22H26O9/c1-6-11(2)20(27)29-19-14-9-17(25)21(5,31-13(4)23)18(26)15(14)10-28-22(19)16(24)8-7-12(3)30-22/h6,9-10,12,16,19,24H,7-8H2,1-5H3/b11-6+/t12-,16+,19+,21-,22-/m0/s1

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InChIKey

VRLYZDQATXRJGD-NUPCNAKASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

VRLYZDQATXRJGD-NUPCNAKASA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

VRLYZDQATXRJGD-NUPCNAKASA-N

(Q105291848)

[(3R,3'R,4R,6'S,7S)-7-acetyloxy-3'-hydroxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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