(Q105377485)

English

2-[6-({2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl}methyl)-3-methyloxan-2-yl]propanoic acid

group of stereoisomers with the chemical formula C₄₀H₆₈O₁₀

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instance of

group of stereoisomers

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subclass of

biogenic 1,6-dioxaspiro(4.5)decane

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inferred from

biogenic 1,6-dioxaspiro(4.5)decane

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708.4812483760002 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₈O₁₀

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canonical SMILES

O=C(O)C(C)C1OC(CCC1C)CC2OC3(OC(C)(CC3C)C4OC(C)(CC4)C5OC(CC5C)C6OC(O)(C)C(C)CC6C)C(C)C(OC)C2

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Identifiers

InChI

InChI=1S/C40H68O10/c1-21-12-13-28(45-33(21)26(6)36(41)42)18-29-19-30(44-11)27(7)40(47-29)25(5)20-38(9,50-40)32-14-15-37(8,48-32)35-23(3)17-31(46-35)34-22(2)16-24(4)39(10,43)49-34/h21-35,43H,12-20H2,1-11H3,(H,41,42)

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InChIKey

ZITSQIZMRMDQLE-UHFFFAOYSA-N

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PubChem CID

12780140

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105377485)

2-[6-({2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl}methyl)-3-methyloxan-2-yl]propanoic acid

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