(Q105347008)

English

(3S,4E,15R,21E,23S,28Z,43Z)-hexatetraconta-4,21,28,43-tetraen-1,13,16,45-tetrayne-3,15,23-triol

chemical compound

In more languages

Statements

type of chemical entity

0 references

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670.5324961 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₇₀O₃

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canonical SMILES

C#CC=CCCCCCCCCCCCCCC=CCCCCC(O)C=CCCCC#CC(O)C#CCCCCCCCC=CC(O)C#C

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isomeric SMILES

C#C/C=C\CCCCCCCCCCCCC/C=C\CCCC[C@H](O)/C=C/CCCC#C[C@H](O)C#CCCCCCCC/C=C/[C@H](O)C#C

0 references

1 reference

Cytotoxic polyacetylenic alcohols from the marine sponge Petrosia species

Identifiers

InChI=1S/C46H70O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-30-35-40-45(48)42-37-32-28-33-38-43-46(49)41-36-31-27-24-21-23-25-29-34-39-44(47)4-2/h1-2,5-6,20,22,34,37,39,42,44-49H,7-19,21,23-33,35,40H2/b6-5-,22-20-,39-34+,42-37+/t44-,45+,46-/m1/s1

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YDSJANLXUUURSA-XNWLOYMCSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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