(Q110177694)

English

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

505.286194476 dalton

1 reference

1 reference

C₂₈H₄₃NO₅S

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canonical SMILES

O=C1OC(C(=CC=2N=C(SC2)C)C)CC=CCCCCCC(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=CCCCCC[C@H](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/C28H43NO5S/c1-18-13-11-9-7-8-10-12-14-23(19(2)15-22-17-35-21(4)29-22)34-25(31)16-24(30)28(5,6)27(33)20(3)26(18)32/h10,12,15,17-18,20,23-24,26,30,32H,7-9,11,13-14,16H2,1-6H3/b12-10?,19-15+/t18-,20+,23-,24-,26-/m0/s1

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InChIKey

MLQWYAQKRLGGTG-XMDMFRLJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLQWYAQKRLGGTG-XMDMFRLJSA-N

(Q110177694)

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

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Identifiers

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