(Q105101200)

English

methyl (1'S,2'R,3R,7'R,8'R,11'R)-5',7',11'-trihydroxy-2'-methyl-4,10'-dioxo-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-7'-carboxylate

group of stereoisomers with the chemical formula C₁₆H₂₀O₉

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Statements

group of stereoisomers

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chemical compound

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356.11073221999993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₆H₂₀O₉

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canonical SMILES

O=C1OC2CC3(C1O)C(C)CCC3(O)C4(C(=O)OC4)C2(O)C(=O)OC

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isomeric SMILES

COC(=O)[C@]1(O)[C@H]2C[C@]3([C@H](C)CCC3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2

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Identifiers

InChI=1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3/t7-,8-,9+,13+,14-,15?,16-/m1/s1

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BPDHZCGFGOWILW-CCZUJKKLSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BPDHZCGFGOWILW-CCZUJKKLSA-N

UniChem compound ID

1 reference

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