(Q105264232)

English

(4S,7R,8S,9R,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione

chemical compound

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type of chemical entity

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1 reference

4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

463.239244284 dalton

1 reference

1 reference

(4S,7R,8S,9S,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₇NO₅S

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canonical SMILES

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

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isomeric SMILES

Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1

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found in taxon

Sorangium cellulosum

1 reference

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/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16-,17-,20+,21+,23+/m1/s1

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InChIKey

SZLNOQJINZWMEH-JYHOPFBMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SZLNOQJINZWMEH-JYHOPFBMSA-N

(Q105264232)

(4S,7R,8S,9R,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione

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