(Q82994191)

English

8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(5-ethoxyhexahydrofuro[2,3-b]furan-2-yl)-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate

group of stereoisomers with the chemical formula C₃₀H₄₆O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

582.3040122919999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

CCOC1CC2CC(C3(C)C(C)CC(OC(C)=O)C4(COC(C)=O)C3CC(O)C(OC(=O)C(C)C)C43CO3)OC2O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCOC1C[C@@H]2CC([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3C[C@H](O)[C@H](OC(=O)C(C)C)[C@]43CO3)O[C@@H]2O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H46O11/c1-8-35-24-11-19-10-22(39-27(19)40-24)28(7)16(4)9-23(38-18(6)32)29(13-36-17(5)31)21(28)12-20(33)25(30(29)14-37-30)41-26(34)15(2)3/h15-16,19-25,27,33H,8-14H2,1-7H3/t16-,19+,20+,21-,22?,23+,24?,25+,27-,28+,29+,30-/m1/s1

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InChIKey

NEMGZSJMBWCSHO-COKRFBQZSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID201427502

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(Q82994191)

8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(5-ethoxyhexahydrofuro[2,3-b]furan-2-yl)-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate

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