(Q110178979)

English

(42E)-33,44-dihydroxyhexatetraconta-3,25,42-trien-1,31,34,45-tetrayn-19-one

group of stereoisomers with the chemical formula C₄₆H₇₀O₃

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Statements

group of stereoisomers

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chemical compound

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670.5324961 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₆H₇₀O₃

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canonical SMILES

O=C(CCCCCC=CCCCCC#CC(O)C#CCCCCCCC=CC(O)C#C)CCCCCCCCCCCCCCC=CC#C

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isomeric SMILES

C#CC=CCCCCCCCCCCCCCCC(=O)CCCCCC=CCCCCC#CC(O)C#CCCCCCC/C=C/C(O)C#C

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based on heuristic

inferred from InChI

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Additional cytotoxic polyacetylenes from the marine sponge Petrosia species

Identifiers

InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-25-30-35-40-45(48)41-36-31-26-20-17-15-18-21-27-32-37-42-46(49)43-38-33-28-23-22-24-29-34-39-44(47)4-2/h1-2,5-6,15,17,34,39,44,46-47,49H,7-14,16,18-33,35-36,40-41H2/b6-5?,17-15?,39-34+

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RWTVQNNRNGKVDM-HLCOWURJSA-N

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