(Q82912103)

English

4-Formyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-1H-naphtho[1,8a-c]furan-10-yl 2-hydroxydecanoate

group of stereoisomers with the chemical formula C₂₅H₃₈O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

466.2566681759999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₈O₈

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canonical SMILES

O=CC1=CCC2C(C)(C)CC(O)C(OC(=O)C(O)CCCCCCCC)C32C(=O)OC(O)C13

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isomeric SMILES

CCCCCCCCC(O)C(=O)O[C@H]1[C@@H](O)CC(C)(C)[C@@H]2CC=C(C=O)C3[C@@H](O)OC(=O)[C@@]321

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Identifiers

InChI

InChI=1S/C25H38O8/c1-4-5-6-7-8-9-10-16(27)21(29)32-20-17(28)13-24(2,3)18-12-11-15(14-26)19-22(30)33-23(31)25(18,19)20/h11,14,16-20,22,27-28,30H,4-10,12-13H2,1-3H3/t16?,17-,18-,19?,20-,22-,25+/m0/s1

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InChIKey

JFWFXOAWDVOLHC-LSNLLVJGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID701364608

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(Q82912103)

4-Formyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydro-1H-naphtho[1,8a-c]furan-10-yl 2-hydroxydecanoate

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