(Q82853525)

English

6'-Butoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl (3aR,4aR,7aR,8aS)-8-(1-ethoxyethoxy)-2,2,6,6-tetramethylhexahydro-2H,6H-benzo[1,2-d:4,5-d']bis[1,3]dioxol-4-yl methyl phosphate

group of stereoisomers with the chemical formula C₄₁H₄₉O₁₄P

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

796.285992878 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₉O₁₄P

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCOc1ccc2c(c1)Oc1cc(OP(=O)(OC)OC3C4OC(C)(C)OC4C(OC(C)OCC)C4OC(C)(C)OC43)ccc1C21OC(=O)c2ccccc21

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCOc1ccc2c(c1)Oc1cc(OP(=O)(OC)OC3[C@@H]4OC(C)(C)O[C@@H]4C(OC(C)OCC)[C@@H]4OC(C)(C)O[C@@H]34)ccc1C21OC(=O)c2ccccc21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C41H49O14P/c1-9-11-20-46-24-16-18-28-30(21-24)48-31-22-25(17-19-29(31)41(28)27-15-13-12-14-26(27)38(42)53-41)54-56(43,44-8)55-37-35-33(49-39(4,5)51-35)32(47-23(3)45-10-2)34-36(37)52-40(6,7)50-34/h12-19,21-23,32-37H,9-11,20H2,1-8H3/t23?,32?,33-,34+,35-,36-,37?,41?,56?/m1/s1

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InChIKey

UALSOBIBQAPBQI-BTAQHSDCSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID60808766

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(Q82853525)

6'-Butoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl (3aR,4aR,7aR,8aS)-8-(1-ethoxyethoxy)-2,2,6,6-tetramethylhexahydro-2H,6H-benzo[1,2-d:4,5-d']bis[1,3]dioxol-4-yl methyl phosphate

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Identifiers

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