(Q105279474)

English

(3E,5E,7E,11E,17Z,19E,22Z)-14,15-dihydroxy-16-methoxy-5,9,13-trimethyl-22-propylidene-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one

group of stereoisomers with the chemical formula C₂₈H₄₀O₅

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Statements

group of stereoisomers

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1 reference

456.28757438 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₅

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canonical SMILES

O=C1OC(=CCC)CC=CC=CC(OC)C(O)C(O)C(C=CCC(C=CC=C(C=C1)C)C)C

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isomeric SMILES

CC/C=C1/C/C=C/C=C\C(OC)C(O)C(O)C(C)/C=C/CC(C)/C=C/C=C(C)/C=C/C(=O)O1

1 reference

based on heuristic

inferred from InChI

1 reference

Atacamycins A-C, 22-membered antitumor macrolactones produced by Streptomyces sp. C38.

Identifiers

InChI=1S/C28H40O5/c1-6-12-24-17-8-7-9-18-25(32-5)28(31)27(30)23(4)16-11-15-21(2)13-10-14-22(3)19-20-26(29)33-24/h7-14,16,18-21,23,25,27-28,30-31H,6,15,17H2,1-5H3/b8-7+,13-10+,16-11+,18-9-,20-19+,22-14+,24-12-

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UUNNBDRRDLLCFN-JQPUZORBSA-N

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