(Q105313947)

English

2-[2-hydroxy-6-(1-{9-hydroxy-2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}ethyl)-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid

group of stereoisomers with the chemical formula C₄₁H₇₀O₁₂

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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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754.9889 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₇₀O₁₂

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canonical SMILES

O=C(O)C(C)C1(O)OC(C(C)C(OC)C1C)C(C)C2OC3(OC(C)(CC3)C4OC(C)(CC4)C5OC(CC5C)C6OC(O)(C)C(C)CC6C)CC(O)C2C

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Identifiers

InChI

InChI=1S/C41H70O12/c1-20-17-22(3)39(11,45)50-31(20)29-18-21(2)35(48-29)38(10)14-13-30(49-38)37(9)15-16-40(53-37)19-28(42)23(4)32(51-40)24(5)33-25(6)34(47-12)26(7)41(46,52-33)27(8)36(43)44/h20-35,42,45-46H,13-19H2,1-12H3,(H,43,44)

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InChIKey

WWEDNBWYGGJQOV-UHFFFAOYSA-N

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CAS Registry Number

62618-08-0

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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inferred from InChIKey

matched by identifier from

InChIKey

WWEDNBWYGGJQOV-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

WWEDNBWYGGJQOV-UHFFFAOYSA-N

(Q105313947)

2-[2-hydroxy-6-(1-{9-hydroxy-2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}ethyl)-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid

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