(Q82915174)

English

Methyl 2-(12-hydroxy-9,12a-dimethyl-1,6,11-trioxo-1,5,6,7a,8,8a,11,12,12a,12b-decahydro-3H,4H-furo[3',4':3,4]naphtho[2,3-b]pyran-4-yl)propanoate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

406.16276779199995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₆O₈

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canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C(=O)OCC24C(C1)C(C(=O)OC)C)C

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isomeric SMILES

COC(=O)C(C)C1CC(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)C3C(=O)OC[C@]132

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Identifiers

InChI

InChI=1S/C21H26O8/c1-9-5-13(22)17(24)20(3)11(9)6-14-21(8-28-19(26)16(20)21)12(7-15(23)29-14)10(2)18(25)27-4/h5,10-12,14,16-17,24H,6-8H2,1-4H3/t10?,11-,12?,14+,16?,17+,20-,21+/m0/s1

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InChIKey

HUYSJYHAQVRRHA-PJWSUSOKSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HUYSJYHAQVRRHA-PJWSUSOKSA-N

1 reference

1 reference

matched by identifier from

InChIKey

HUYSJYHAQVRRHA-PJWSUSOKSA-N

DSSTOX compound identifier

DTXCID701367290

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(Q82915174)

Methyl 2-(12-hydroxy-9,12a-dimethyl-1,6,11-trioxo-1,5,6,7a,8,8a,11,12,12a,12b-decahydro-3H,4H-furo[3',4':3,4]naphtho[2,3-b]pyran-4-yl)propanoate

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