(Q105167940)

English

[(7R,8S,8aS)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

Isochromophilone VIII

1 reference

based on heuristic

inferred from SMILES

5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

394.154701644 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₇ClO₅

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canonical SMILES

O=C(OC1C2C(C=C(OC2)C=CC(=CC(C)CC)C)=C(Cl)C(=O)C1(O)C)C

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isomeric SMILES

CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(O)[C@@H](OC(C)=O)[C@@H]2CO1

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found in taxon

Penicillium multicolor

1 reference

stated in

Isochromophilones III-VI, inhibitors of acyl-CoA:cholesterol acyltransferase produced by Penicillium multicolor FO-3216

Penicillium

1 reference

stated in

New isochromophilones VII and VIII produced by Penicillium sp. FO-4164

Identifiers

InChI

InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12-,17+,20-,21-/m0/s1

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InChIKey

MMOJJYPBNVVCGY-VVLSBDBWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMOJJYPBNVVCGY-VVLSBDBWSA-N

(Q105167940)

[(7R,8S,8aS)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

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