(Q110179043)

English

(3S,4E,14R,26E)-hexatetraconta-4,21,26,43-tetraen-1,12,15,45-tetrayne-3,14,28-triol

group of stereoisomers with the chemical formula C₄₆H₇₀O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

670.5324961 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₇₀O₃

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canonical SMILES

C#CC=CCCCCCCCCCCCCCCC(O)C=CCCCC=CCCCCC#CC(O)C#CCCCCCCC=CC(O)C#C

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isomeric SMILES

C#CC=CCCCCCCCCCCCCCCC(O)/C=C/CCCC=CCCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C

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found in taxon

Petrosia

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stated in

Cytotoxic polyacetylenic alcohols from the marine sponge Petrosia species

Identifiers

InChI

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/h1-2,5-6,15,17,34,36,39,41,44-49H,7-14,16,18-33,35,40H2/b6-5?,17-15?,39-34+,41-36+/t44-,45?,46+/m1/s1

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InChIKey

QGGNXNCVFAAWBQ-OFTPCPBBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QGGNXNCVFAAWBQ-OFTPCPBBSA-N

(Q110179043)

(3S,4E,14R,26E)-hexatetraconta-4,21,26,43-tetraen-1,12,15,45-tetrayne-3,14,28-triol

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Identifiers

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