(Q105234498)

English

methyl (2R)-2-[(1R,6R)-4-[(1R,2'R,4aR,5R,8aR)-1-(furan-3-yl)-8a-methyl-3,6-dioxospiro[4,4a,7,8-tetrahydro-1H-isochromene-5,3'-oxirane]-2'-yl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]-2-acetyloxyacetate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 2-acetyloxy-2-[4-[1-(furan-3-yl)-8a-methyl-3,6-dioxospiro[4,4a,7,8-tetrahydro-1H-isochromene-5,3'-oxirane]-2'-yl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

542.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₀

0 references

canonical SMILES

O=C(OC(C(=O)OC)C1C(C(=O)C(=CC1(C)C)C2OC32C(=O)CCC4(C)C(OC(=O)CC34)C5=COC=C5)C)C

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isomeric SMILES

COC(=O)[C@H](OC(C)=O)[C@@H]1[C@@H](C)C(=O)C([C@H]2O[C@@]23C(=O)CC[C@@]2(C)[C@H](c4ccoc4)OC(=O)C[C@H]23)=CC1(C)C

0 references

found in taxon

Guarea kunthiana

1 reference

stated in

Ecuadorin, a novel tetranortriterpenoid of Guareakunthiana: structure elucidation by 2-D NMR spectroscopy

Identifiers

InChI

InChI=1S/C29H34O10/c1-14-21(23(26(34)35-6)37-15(2)30)27(3,4)12-17(22(14)33)25-29(39-25)18-11-20(32)38-24(16-8-10-36-13-16)28(18,5)9-7-19(29)31/h8,10,12-14,18,21,23-25H,7,9,11H2,1-6H3/t14-,18-,21+,23-,24+,25-,28-,29+/m1/s1

0 references

InChIKey

RDWDRHPKSXHCRK-SHNQNJQCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RDWDRHPKSXHCRK-SHNQNJQCSA-N

(Q105234498)

methyl (2R)-2-[(1R,6R)-4-[(1R,2'R,4aR,5R,8aR)-1-(furan-3-yl)-8a-methyl-3,6-dioxospiro[4,4a,7,8-tetrahydro-1H-isochromene-5,3'-oxirane]-2'-yl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]-2-acetyloxyacetate

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Identifiers

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