(Q105248889)

English

(4S,5S)-3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one

chemical compound

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Statements

type of chemical entity

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3,4,5-trihydroxy-5-(3-methylbut-2-en-1-yl)-2-(3-methylbutanoyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

378.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₆

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canonical SMILES

O=C(C=1C(=O)C(O)(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)CC(C)C

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isomeric SMILES

CC(C)=CCC(=O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@]1(O)CC=C(C)C

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Humulus lupulus

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Estrogens and congeners from spent hops (Humulus lupulus).

Identifiers

InChI=1S/C21H30O6/c1-12(2)7-8-16(23)21(27)19(25)17(15(22)11-14(5)6)18(24)20(21,26)10-9-13(3)4/h7,9,14,25-27H,8,10-11H2,1-6H3/t20-,21+/m1/s1

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SAIULYGEZGWEDU-RTWAWAEBSA-N

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CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

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