(Q105020334)

English

(2S)-7-hydroxy-2-[2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

group of stereoisomers with the chemical formula C₃₀H₃₆O₅

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Statements

instance of

group of stereoisomers

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1 reference

476.256274252 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₆O₅

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canonical SMILES

O=C1C2=CC=C(O)C(=C2OC(C=3C=C(C=4OC(CC4C3)C(O)(C)C)CC=C(C)C)C1)CC=C(C)C

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isomeric SMILES

CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1OC(C(C)(C)O)C2

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found in taxon

Sophora tonkinensis

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stated in

Rexinoids isolated from Sophora tonkinensis with a gene expression profile distinct from the synthetic rexinoid bexarotene.

Identifiers

InChI

InChI=1S/C30H36O5/c1-17(2)7-9-19-13-20(14-21-15-27(30(5,6)33)35-28(19)21)26-16-25(32)23-11-12-24(31)22(29(23)34-26)10-8-18(3)4/h7-8,11-14,26-27,31,33H,9-10,15-16H2,1-6H3/t26-,27?/m0/s1

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InChIKey

GUOZFKYIHZVTRA-QBHOUYDASA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105020334)

(2S)-7-hydroxy-2-[2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

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