(Q105015289)

English

methyl 2-[(1R)-2-[(1aS,3S,3aS,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-6,6-dimethyl-5-oxocyclohex-3-en-1-yl]acetate

group of stereoisomers with the chemical formula C₂₈H₃₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

methyl 2-[(1R)-2-[(1aS,3S,3aS,5R,6R)-5-(acetyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-6,6-dimethyl-5-oxocyclohex-3-en-1-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

482.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₇

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canonical SMILES

O=C(OC1CC2(C)C(C3=COC=C3)CC4OC42C(=C)C1C5C=CC(=O)C(C)(C)C5CC(=O)OC)C

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isomeric SMILES

C=C1[C@@H](C2C=CC(=O)C(C)(C)[C@@H]2CC(=O)OC)[C@H](OC(C)=O)C[C@@]2(C)[C@H](c3ccoc3)C[C@@H]3O[C@]132

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found in taxon

Toona ciliata

1 reference

stated in

Limonoids from seeds of Toona ciliata and their chemosystematic significance

Identifiers

InChI

InChI=1S/C28H34O7/c1-15-25(18-7-8-22(30)26(3,4)20(18)12-24(31)32-6)21(34-16(2)29)13-27(5)19(17-9-10-33-14-17)11-23-28(15,27)35-23/h7-10,14,18-21,23,25H,1,11-13H2,2-6H3/t18?,19-,20+,21+,23-,25-,27-,28+/m0/s1

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InChIKey

GQARDYJAWJOMJY-BCOREWIWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQARDYJAWJOMJY-BCOREWIWSA-N

(Q105015289)

methyl 2-[(1R)-2-[(1aS,3S,3aS,5R,6R,7aS)-5-acetyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-6-yl]-6,6-dimethyl-5-oxocyclohex-3-en-1-yl]acetate

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