(Q102338033)

(Redirected from Q82922775)

English

tetrahydroisohumulone

group of stereoisomers

tetrahydroiso-α-acid
3,4-Dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbutyl)-4-(4-methylpentanoyl)cyclopent-2-en-1-one

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Statements

group of stereoisomers

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366.24062418799986 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₅

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canonical SMILES

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

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Identifiers

InChI=1S/C21H34O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h12-15,25-26H,7-11H2,1-6H3

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JIZQRWKUYFNSDM-UHFFFAOYSA-N

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CAS Registry Number

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JIZQRWKUYFNSDM-UHFFFAOYSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=28815-20-5

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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