(Q110179095)

English

(4R,5S,6S,13S,14E)-5,13-dihydroxy-2,2,4,6-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

407.249415044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₇NO₃S

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canonical SMILES

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

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isomeric SMILES

Cc1nc(/C=C/[C@@H](O)CC=CCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C)cs1

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found in taxon

Sorangium

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/C23H37NO3S/c1-16(21(26)17(2)22(27)23(4,5)6)11-9-7-8-10-12-20(25)14-13-19-15-28-18(3)24-19/h8,10,13-17,20-21,25-26H,7,9,11-12H2,1-6H3/b10-8?,14-13+/t16-,17+,20-,21-/m0/s1

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InChIKey

SQZGLNJGLTXCMY-KUXOJBJDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQZGLNJGLTXCMY-KUXOJBJDSA-N

(Q110179095)

(4R,5S,6S,13S,14E)-5,13-dihydroxy-2,2,4,6-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-dien-3-one

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Identifiers

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