(Q105339023)

English

methyl (1R,3aR)-1-(2-methoxy-2-oxoethyl)-3a-methyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydro-1H-azulene-6-carboxylate

group of stereoisomers with the chemical formula C₂₂H₃₄O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

458.21519728799996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₄O₁₀

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canonical SMILES

O=C(OC)C1=CCC2C(CC(=O)OC)CC(OC3OC(CO)C(O)C(O)C3O)C2(C)CC1

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isomeric SMILES

COC(=O)C[C@H]1CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)CCC(C(=O)OC)=CCC12

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Identifiers

InChI

InChI=1S/C22H34O10/c1-22-7-6-11(20(28)30-3)4-5-13(22)12(9-16(24)29-2)8-15(22)32-21-19(27)18(26)17(25)14(10-23)31-21/h4,12-15,17-19,21,23,25-27H,5-10H2,1-3H3/t12-,13?,14-,15?,17-,18+,19-,21+,22-/m1/s1

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InChIKey

XPVYZIHUAHTXGV-CUHQMVGASA-N

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PubChem CID

6325592

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XPVYZIHUAHTXGV-CUHQMVGASA-N

1 reference

(Q105339023)

methyl (1R,3aR)-1-(2-methoxy-2-oxoethyl)-3a-methyl-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydro-1H-azulene-6-carboxylate

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