(Q105281946)

English

(4S,5R,7R,11Z,14S)-4-hydroxy-5,7,11-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione

chemical compound

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instance of

type of chemical entity

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419.213029536 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₃NO₄S

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canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)CC=C(C)CCCC(C(=O)C(C)C(O)C1)C

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isomeric SMILES

C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)CCC1

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found in taxon

Sorangium cellulosum

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stated in

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

Identifiers

InChI

InChI=1S/C23H33NO4S/c1-14-7-6-8-15(2)23(27)17(4)20(25)12-22(26)28-21(10-9-14)16(3)11-19-13-29-18(5)24-19/h9,11,13,15,17,20-21,25H,6-8,10,12H2,1-5H3/b14-9-,16-11+/t15-,17-,20+,21+/m1/s1

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InChIKey

UYUFFQJDKXXQKP-LRTNHIRZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYUFFQJDKXXQKP-LRTNHIRZSA-N

(Q105281946)

(4S,5R,7R,11Z,14S)-4-hydroxy-5,7,11-trimethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclotetradec-11-ene-2,6-dione

Statements

Identifiers

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