(Q105196460)

English

methyl (1S,3R,5S,6R,8R,10R,11S,12S)-3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₇

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canonical SMILES

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

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isomeric SMILES

COC(=O)[C@@H]1C[C@H](O)C[C@@H]2[C@@H]1[C@@H]1C[C@@]3(O[C@@H](c4ccoc4)C[C@@]23C)C(=O)O1

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found in taxon

Dioscorea bulbifera

1 reference

stated in

Glycosides from Dioscorea bulbifera

Identifiers

InChI

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

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InChIKey

OPNWTAMLIMDKEY-UWGSWSTESA-N

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CAS Registry Number

20086-05-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OPNWTAMLIMDKEY-UWGSWSTESA-N

1 reference

(Q105196460)

methyl (1S,3R,5S,6R,8R,10R,11S,12S)-3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate

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Identifiers

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