(Q104912622)

English

[(1aR,3S,3aR,4R,5R,6R,7aS)-5-acetyloxy-6-[(1S,2R,6R)-6-acetyloxy-2-(2-methoxy-2-oxoethyl)-1,3,3-trimethyl-4-oxocyclohexyl]-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

642.304012292 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₆O₁₁

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canonical SMILES

O=C(OC1C(OC(=O)C(C)C)C2(C)C(C3=COC=C3)CC4OC42C(=C)C1C5(C)C(OC(=O)C)CC(=O)C(C)(C)C5CC(=O)OC)C

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isomeric SMILES

C=C1[C@@H]([C@@]2(C)[C@H](OC(C)=O)CC(=O)C(C)(C)[C@@H]2CC(=O)OC)[C@@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132

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found in taxon

Turraea pubescens

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stated in

Bioactive limonoid and triterpenoid constituents of Turraea pubescens

Identifiers

InChI

InChI=1S/C35H46O11/c1-17(2)31(40)45-30-29(44-20(5)37)28(18(3)35-26(46-35)13-22(34(30,35)9)21-11-12-42-16-21)33(8)23(14-27(39)41-10)32(6,7)24(38)15-25(33)43-19(4)36/h11-12,16-17,22-23,25-26,28-30H,3,13-15H2,1-2,4-10H3/t22-,23-,25+,26+,28+,29+,30-,33+,34+,35+/m0/s1

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InChIKey

AIBRKXPQLXAHPI-FCSJGYHHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AIBRKXPQLXAHPI-FCSJGYHHSA-N

1 reference

(Q104912622)

[(1aR,3S,3aR,4R,5R,6R,7aS)-5-acetyloxy-6-[(1S,2R,6R)-6-acetyloxy-2-(2-methoxy-2-oxoethyl)-1,3,3-trimethyl-4-oxocyclohexyl]-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate

Statements

Identifiers

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