(Q110176782)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

493.249808968 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₉NO₆S

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canonical SMILES

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

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isomeric SMILES

Cc1nc(C=C(CO)[C@@H]2CC=CCCC[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

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/C26H39NO6S/c1-16-10-8-6-7-9-11-21(19(14-28)12-20-15-34-18(3)27-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h7,9,12,15-17,21-22,24,28-29,31H,6,8,10-11,13-14H2,1-5H3/t16-,17+,21-,22-,24-/m0/s1

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InChIKey

RPXWIALRKLAACL-NFOUQINZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RPXWIALRKLAACL-NFOUQINZSA-N

(Q110176782)

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

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Identifiers

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