(Q110176186)

English

(4S,7R,8R,9E,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-9,13-diene-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

475.239244284 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₇NO₅S

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canonical SMILES

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

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isomeric SMILES

C/C(=C\c1csc(C)n1)[C@@H]1CC=CCC/C=C(\C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1

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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/C26H37NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10-11,13,15,18,21-22,24,28,30H,7,9,12,14H2,1-6H3/b10-8?,16-11+,17-13+/t18-,21+,22+,24+/m1/s1

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InChIKey

MVIPGYRWGVEDHK-HAEWAQROSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVIPGYRWGVEDHK-HAEWAQROSA-N

(Q110176186)

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

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Identifiers

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