(Q110179111)

English

(4S,5S,7R,8S,9S,18S)-4,8-dihydroxy-5,7,9,11,15-pentamethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione

group of stereoisomers with the chemical formula C₂₉H₄₅NO₅S

In more languages

Statements

group of stereoisomers

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chemical compound

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519.30184454 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₅NO₅S

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canonical SMILES

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

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isomeric SMILES

CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CC(C)CCC1

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1 reference

New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies

Identifiers

InChI=1S/C29H45NO5S/c1-17-9-8-10-18(2)13-20(4)28(33)22(6)29(34)21(5)25(31)15-27(32)35-26(12-11-17)19(3)14-24-16-36-23(7)30-24/h11,14,16,18,20-22,25-26,28,31,33H,8-10,12-13,15H2,1-7H3/b17-11?,19-14+/t18?,20-,21-,22+,25-,26-,28-/m0/s1

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LUSOGNSOTZPASB-WNIINXFSSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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