(Q105254416)

English

(3S,4E,14R,21Z,25E,27S,43Z)-hexatetraconta-4,21,25,43-tetraen-1,12,15,45-tetrayne-3,14,27-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=CCCCCCCCCCCCCCCCC(O)C=CCCC=CCCCCC#CC(O)C#CCCCCCCC=CC(O)C#C

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isomeric SMILES

C#C/C=C\CCCCCCCCCCCCCCC[C@H](O)/C=C/CC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C

0 references

1 reference

Cytotoxic polyacetylenic alcohols from the marine sponge Petrosia species

Identifiers

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

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SJMINANWMAMWSJ-IPAJIMKLSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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