(Q104993076)

English

(1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-3-[(E)-1-[2-(hydroxymethyl)-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

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subclass of

7,11-Dihydroxy-3-[1-[2-(hydroxymethyl)-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

1 reference

based on heuristic

inferred from SMILES

mass

509.244723588 dalton

1 reference

1 reference

C₂₆H₃₉NO₇S

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canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)CO)C)CC3OC3CCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C

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isomeric SMILES

C/C(=C\c1csc(CO)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1

0 references

found in taxon

Sorangium cellulosum

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/c1-14-7-6-8-18-20(33-18)10-19(15(2)9-17-13-35-22(12-28)27-17)34-23(30)11-21(29)26(4,5)25(32)16(3)24(14)31/h9,13-14,16,18-21,24,28-29,31H,6-8,10-12H2,1-5H3/b15-9+/t14-,16+,18+,19-,20-,21-,24+/m0/s1

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InChIKey

FCCNKYGSMOSYPV-CAHPRRIFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FCCNKYGSMOSYPV-CAHPRRIFSA-N

(Q104993076)

(1S,3S,7S,10R,11R,12S,16R)-7,11-dihydroxy-3-[(E)-1-[2-(hydroxymethyl)-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

Statements

Identifiers

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