(Q110179987)

English

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[3-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

509.244723588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-3-[(E)-3-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₉NO₇S

0 references

canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)CO)CC3OC3CCCC(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]2C[C@@H]3O[C@@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1

0 references

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/C26H39NO7S/c1-14-7-6-8-19-21(33-19)10-20(17(12-28)9-18-13-35-16(3)27-18)34-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/t14-,15+,19+,20-,21-,22-,24-/m0/s1

0 references

InChIKey

XSZHNNYJIPRFJZ-SKUOKBBZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSZHNNYJIPRFJZ-SKUOKBBZSA-N

(Q110179987)

(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[3-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

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Identifiers

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