(Q110179496)

English

(4S,11S,12E)-11-hydroxy-4-methyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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321.176250104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₇NO₂S

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canonical SMILES

O=C(CC)C(C)CCCC=CCC(O)C=CC=1N=C(SC1)C

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isomeric SMILES

CCC(=O)[C@@H](C)CCCC=CC[C@H](O)/C=C/c1csc(C)n1

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1 reference

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Identifiers

InChI=1S/C18H27NO2S/c1-4-18(21)14(2)9-7-5-6-8-10-17(20)12-11-16-13-22-15(3)19-16/h6,8,11-14,17,20H,4-5,7,9-10H2,1-3H3/b8-6?,12-11+/t14-,17-/m0/s1

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HYNDSRJYSBDNCW-PARJIIHVSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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