(Q104998779)

English

[6-[acetyloxy-[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl] 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₃₄H₄₂O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

642.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₁₂

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canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C(O)(C(=O)CC3)C(OC(=O)C)C4C(=O)C(C)C(CC(=O)OC)C(C)(C)C4OC(=O)C(=CC)C)C

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found in taxon

Xylocarpus

1 reference

stated in

Xylogranatins A-D, new mexicanolides from the fruit of a Chinese mangrove Xylocarpus granatum

Identifiers

InChI

InChI=1S/C34H42O12/c1-9-17(2)31(40)46-29-26(27(39)18(3)21(32(29,5)6)14-24(37)42-8)30(44-19(4)35)34(41)22-15-25(38)45-28(20-11-13-43-16-20)33(22,7)12-10-23(34)36/h9,11,13,15-16,18,21,26,28-30,41H,10,12,14H2,1-8H3

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InChIKey

FOIBRFBSPKGPOD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FOIBRFBSPKGPOD-UHFFFAOYSA-N

(Q104998779)

[6-[acetyloxy-[1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-5-oxocyclohexyl] 2-methylbut-2-enoate

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Identifiers

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