(Q105369175)

English

methyl (2S,4aS,6R,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

chemical compound

In more languages

Statements

type of chemical entity

0 references

Methyl 2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

684.262935328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₄O₁₆

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canonical SMILES

O=C(OC)C1=CC(O)CC2C1(C)C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)CC5C(=O)OC(C6=COC=C6)CC52C

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isomeric SMILES

COC(=O)C1=C[C@H](O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3C[C@@H](O[C@@H]3O[C@H](CO[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C

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Tinospora crispa

1 reference

cis-Clerodane-type furanoditerpenoids from Tinospora crispa.

Identifiers

InChI=1S/C32H44O16/c1-31-9-18(13-4-5-43-10-13)46-28(41)15(31)8-21(32(2)16(27(40)42-3)6-14(33)7-20(31)32)48-30-26(39)24(37)23(36)19(47-30)12-45-29-25(38)22(35)17(34)11-44-29/h4-6,10,14-15,17-26,29-30,33-39H,7-9,11-12H2,1-3H3/t14-,15+,17+,18-,19+,20-,21+,22-,23+,24-,25+,26+,29+,30-,31+,32-/m0/s1

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YZFIWGRLAXHHNA-HLGPKYHASA-N

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1 reference

15 September 2022

UniChem compound ID

1 reference

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