(Q82886029)

English

(5-Oxooxolan-3-yl) (2R,3R,6S,9R,11S)-2-((2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl)-3,7,7,9-tetramethyl-10-oxo-1-oxaspiro(5.5)undec-4-ene-11-carboxylate

group of stereoisomers with the chemical formula C₃₁H₄₂O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

542.287968304 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₂O₈

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canonical SMILES

O=C1OCC(OC(=O)C2C(=O)C(C)CC(C)(C)C32OC(C(C=C3)C)C(C)CCC(OC)C=4C=CC=C(O)C4)C1

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isomeric SMILES

CO[C@@H](CC[C@H](C)[C@H]1O[C@@]2(C=C[C@H]1C)[C@H](C(=O)OC1COC(=O)C1)C(=O)[C@H](C)CC2(C)C)c1cccc(O)c1

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found in taxon

Schizothrix calcicola

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stated in

Structures and stereochemistries of oscillatoxin B, 31-noroscillatoxin B, oscillatoxin D, and 30-methyloscillatoxin D

Identifiers

InChI

InChI=1S/C31H42O8/c1-18(10-11-24(36-6)21-8-7-9-22(32)14-21)28-19(2)12-13-31(39-28)26(27(34)20(3)16-30(31,4)5)29(35)38-23-15-25(33)37-17-23/h7-9,12-14,18-20,23-24,26,28,32H,10-11,15-17H2,1-6H3/t18-,19+,20+,23?,24-,26-,28+,31-/m0/s1

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InChIKey

RYBYHPJXPIRVFK-QURPRUPMSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID301344111

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(Q82886029)

(5-Oxooxolan-3-yl) (2R,3R,6S,9R,11S)-2-((2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl)-3,7,7,9-tetramethyl-10-oxo-1-oxaspiro(5.5)undec-4-ene-11-carboxylate

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Identifiers

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