(Q103816227)

English

8-{9-hydroxy-2-[2-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-9-[(5-methoxy-6-methyloxan-2-yl)oxy]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-2,4,6-trimethyl-5-oxonon-6-enoic acid

group of stereoisomers with the chemical formula C₄₇H₇₈O₁₃

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instance of

group of stereoisomers

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subclass of

biogenic 1,6-dioxaspiro(4.5)decane

1 reference

inferred from

biogenic 1,6-dioxaspiro(4.5)decane

mass

850.5442425560004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₇₈O₁₃

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canonical SMILES

O=C(O)C(C)CC(C(=O)C(=CC(C)C1OC2(OC(C)(CC2)C3OC4(OC(CC4C)C5OC(O)(C)C(C)CC5C)C(C)C(OC6OC(C)C(OC)CC6)C3)CC(O)C1C)C)C

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Identifiers

InChI

InChI=1S/C47H78O13/c1-24(40(49)25(2)19-28(5)43(50)51)18-26(3)41-31(8)34(48)23-46(59-41)17-16-44(11,60-46)38-22-36(55-39-15-14-35(53-13)33(10)54-39)32(9)47(57-38)30(7)21-37(56-47)42-27(4)20-29(6)45(12,52)58-42/h18,25-39,41-42,48,52H,14-17,19-23H2,1-13H3,(H,50,51)

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InChIKey

ALQNAINCHNBUOD-UHFFFAOYSA-N

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PubChem CID

175497

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ALQNAINCHNBUOD-UHFFFAOYSA-N

(Q103816227)

8-{9-hydroxy-2-[2-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-9-[(5-methoxy-6-methyloxan-2-yl)oxy]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-2,4,6-trimethyl-5-oxonon-6-enoic acid

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