(Q82919083)

English

Methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxodecahydro-4H-3a,6-methanofuro[2,3-d][2]benzoxepine-7-carboxylate

chemical compound

In more languages

Statements

group of stereoisomers

0 references

methyl (5S,8R,10R,11S)-3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadecane-10-carboxylate

1 reference

based on heuristic

inferred from SMILES

376.1522031079999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C(OC)C1CC(O)CC2C1C3OC(=O)C4(OC(C5=COC=C5)CC24C)C3

0 references

isomeric SMILES

COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1[C@@H]1CC3(O[C@@H](c4ccoc4)C[C@@]23C)C(=O)O1

0 references

Identifiers

InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3/t11-,12+,13+,14+,15-,16+,19-,20?/m0/s1

0 references

OPNWTAMLIMDKEY-QGILWXNYSA-N

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CAS Registry Number

0 references

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OPNWTAMLIMDKEY-QGILWXNYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3/t11-,12+,13+,14+,15-,16+,19-,20?/m0/s1

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

OPNWTAMLIMDKEY-QGILWXNYSA-N

DSSTOX compound identifier

DTXCID701370526

0 references

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