(Q105002059)

English

methyl (2R)-2-[(1S,2R,5S,6S,10S,11S,13S,14R,16S)-6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadecan-16-yl]-2-hydroxyacetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-[6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadecan-16-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

502.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₉

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C)CCC4C5(OC6C(C(=O)C4(C)C(C(O)C(=O)OC)C6(C)C)C5)C3(O)C1

0 references

isomeric SMILES

COC(=O)[C@H](O)[C@H]1C(C)(C)[C@@H]2O[C@@]34C[C@@H]2C(=O)[C@]1(C)[C@H]3CC[C@@]1(C)[C@H](c2ccoc2)OC(=O)C[C@]14O

0 references

found in taxon

Cedrela odorata

1 reference

stated in

Limonoids from the stem bark of Cedrela odorata

Identifiers

InChI

InChI=1S/C27H34O9/c1-23(2)18(17(29)22(31)33-5)25(4)15-6-8-24(3)20(13-7-9-34-12-13)35-16(28)11-27(24,32)26(15)10-14(19(25)30)21(23)36-26/h7,9,12,14-15,17-18,20-21,29,32H,6,8,10-11H2,1-5H3/t14-,15-,17-,18+,20+,21-,24+,25-,26+,27+/m1/s1

0 references

InChIKey

FUUPAIRQRCGFKK-PRDOGJNQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FUUPAIRQRCGFKK-PRDOGJNQSA-N

(Q105002059)

methyl (2R)-2-[(1S,2R,5S,6S,10S,11S,13S,14R,16S)-6-(furan-3-yl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadecan-16-yl]-2-hydroxyacetate

Statements

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