(Q105382303)

English

(4S,7R,8S,9S,11S,15Z,18S)-4,8-dihydroxy-5,5,7,9,11-pentamethyl-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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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

1 reference

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=CCCCC(C)CC(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]1C/C=C\CCC[C@H](C)C[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 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/C29H45NO5S/c1-18-12-10-8-9-11-13-24(19(2)15-23-17-36-22(5)30-23)35-26(32)16-25(31)29(6,7)28(34)21(4)27(33)20(3)14-18/h9,11,15,17-18,20-21,24-25,27,31,33H,8,10,12-14,16H2,1-7H3/b11-9-,19-15+/t18-,20-,21+,24-,25-,27-/m0/s1

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InChIKey

ZRXGTLZTTTXSFQ-CEKMOYNTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZRXGTLZTTTXSFQ-CEKMOYNTSA-N

(Q105382303)

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

Statements

Identifiers

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