(Q105362870)

English

methyl (2R)-2-acetyloxy-2-[(3S,4R)-4-[(1R,3R,4R,7S,8S,10R)-8-(furan-3-yl)-10-hydroxy-3,7-dimethyl-2-oxatricyclo[5.3.0.01,3]decan-4-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 2-acetyloxy-2-[4-[8-(furan-3-yl)-10-hydroxy-3,7-dimethyl-2-oxatricyclo[5.3.0.01,3]decan-4-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

530.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₉

0 references

canonical SMILES

O=C1OC(C)(C)C(C(OC(=O)C)C(=O)OC)C(C=C1)(C)C2CCC3(C)C(C4=COC=C4)CC(O)C53OC25C

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isomeric SMILES

COC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)OC(=O)C=C[C@]1(C)[C@H]1CC[C@@]2(C)[C@H](c3ccoc3)C[C@@H](O)[C@]23O[C@]13C

0 references

found in taxon

Toona ciliata

1 reference

stated in

Limonoids from the leaves and stems of Toona ciliata

Identifiers

InChI

InChI=1S/C29H38O9/c1-16(30)36-22(24(33)34-7)23-25(2,3)37-21(32)9-11-26(23,4)19-8-12-27(5)18(17-10-13-35-15-17)14-20(31)29(27)28(19,6)38-29/h9-11,13,15,18-20,22-23,31H,8,12,14H2,1-7H3/t18-,19+,20+,22+,23-,26+,27-,28+,29-/m0/s1

0 references

InChIKey

YUGPXFBJZOAFLD-IUHLTIPPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YUGPXFBJZOAFLD-IUHLTIPPSA-N

1 reference

(Q105362870)

methyl (2R)-2-acetyloxy-2-[(3S,4R)-4-[(1R,3R,4R,7S,8S,10R)-8-(furan-3-yl)-10-hydroxy-3,7-dimethyl-2-oxatricyclo[5.3.0.01,3]decan-4-yl]-2,2,4-trimethyl-7-oxo-3H-oxepin-3-yl]acetate

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Identifiers

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