(Q110174548)

English

(4S,7R,8S,9S,15S,16R)-4,8,15-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-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

1 reference

1 reference

C₂₆H₃₉NO₆S

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canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)C(O)C=CCCCC(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]1OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCCC=C[C@@H]1O

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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/c1-15-10-8-7-9-11-20(28)24(16(2)12-19-14-34-18(4)27-19)33-22(30)13-21(29)26(5,6)25(32)17(3)23(15)31/h9,11-12,14-15,17,20-21,23-24,28-29,31H,7-8,10,13H2,1-6H3/b11-9?,16-12+/t15-,17+,20-,21-,23-,24+/m0/s1

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InChIKey

XHORAZNTIGWOJV-COBNQBJESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XHORAZNTIGWOJV-COBNQBJESA-N

(Q110174548)

(4S,7R,8S,9S,15S,16R)-4,8,15-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

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Identifiers

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