(Q82875972)

English

[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

chemical compound

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type of chemical entity

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subclass of

[(2R,4S,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

1 reference

based on heuristic

inferred from SMILES

mass

450.180916392 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₁ClO₆

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canonical SMILES

O=C(OC1C2=C(CO)C(O)C3CC(C)(C)CC3C2(C)C1)C4=C(O)C=C(OC)C(Cl)=C4C

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isomeric SMILES

CC1=C(C(=CC(=C1Cl)OC)O)C(=O)O[C@@H]2C[C@]3(C2=C([C@H]([C@H]4[C@@H]3CC(C4)(C)C)O)CO)C

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found in taxon

Armillaria mellea

3 references

stated in

New Sesquiterpene Aryl Esters from Armillaria mellea

stated in

Sesquiterpene aryl esters from Armillaria mellea

stated in

Structure and cytotoxicity of arnamial and related fungal sesquiterpene aryl esters.

Armillaria solidipes

1 reference

stated in

Secondary Fungal Metabolites and Their Biological Activities, II. Occurrance of Antibiotic Compounds in Cultures of Armillaria ostoyae Growing in the Presence of an Antagonistic Fungus or Host Plant Cells

Identifiers

InChI

InChI=1S/C24H31ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,12,14,17,21,26-28H,7-10H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1

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InChIKey

OMAGQTXDHXASNM-RNNQDMPLSA-N

0 references

1 reference

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=102092-23-9

InChIKey

OMAGQTXDHXASNM-RNNQDMPLSA-N

PubChem CID

188661

1 reference

matched by identifier from

InChIKey

OMAGQTXDHXASNM-RNNQDMPLSA-N

1 reference

1 reference

matched by identifier from

InChIKey

OMAGQTXDHXASNM-RNNQDMPLSA-N

DSSTOX compound identifier

DTXCID201336175

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(Q82875972)

[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate

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