(Q105342343)

English

methyl (2S,4aS,6S,10aS,10bS)-2-(furan-3-yl)-10b-methyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 2-(furan-3-yl)-10b-methyl-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

522.210111908 dalton

1 reference

1 reference

C₂₆H₃₄O₁₁

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canonical SMILES

O=C(OC)C1=C2C(OC3OC(CO)C(O)C(O)C3O)CC4C(=O)OC(C5=COC=C5)CC4(C)C2CCC1

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isomeric SMILES

COC(=O)C1=C2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@@H]2CCC1

0 references

found in taxon

Tinospora cordifolia

2 references

stated in

A furanoid diterpene glucoside from Tinospora cordifolia

stated in

Cordioside, a clerodane furano diterpene glucoside from Tinospora cordifolia

Identifiers

InChI

InChI=1S/C26H34O11/c1-26-9-17(12-6-7-34-11-12)35-24(32)15(26)8-16(19-13(23(31)33-2)4-3-5-14(19)26)36-25-22(30)21(29)20(28)18(10-27)37-25/h6-7,11,14-18,20-22,25,27-30H,3-5,8-10H2,1-2H3/t14-,15-,16+,17+,18-,20-,21+,22-,25-,26+/m1/s1

0 references

InChIKey

XUIZSDGOOIIFSX-OQNUAREVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XUIZSDGOOIIFSX-OQNUAREVSA-N

(Q105342343)

methyl (2S,4aS,6S,10aS,10bS)-2-(furan-3-yl)-10b-methyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,6,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

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Identifiers

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