(Q104917284)

English

methyl (4aR,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

group of stereoisomers with the chemical formula C₁₉H₂₈O₁₂

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group of stereoisomers

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448.1580763359999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₈O₁₂

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C(O)CC3(OC(=O)C)C

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isomeric SMILES

COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)[C@H]2[C@H]1C(O)C[C@]2(C)OC(C)=O

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Identifiers

InChI

InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9?,10?,11-,12-,13?,14?,15?,17?,18?,19+/m1/s1

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InChIKey

ARFRZOLTIRQFCI-KCDFOIMJSA-N

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PubChem CID

138114877

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ARFRZOLTIRQFCI-KCDFOIMJSA-N

(Q104917284)

methyl (4aR,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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