(Q105137418)

English

methyl 2-[(1S,2S,4S,6S,9R,10R,11R,15S,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 2-[(1R,2S,6R,10S,11R,15R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadeca-7,13-dien-10-yl]acetate

1 reference

based on heuristic

inferred from SMILES

methyl 2-[(1R,2S,4R,9R,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

1 reference

based on heuristic

inferred from SMILES

Jziqwnppbkfopt-ablzdqehsa-

1 reference

based on heuristic

inferred from SMILES

mass

466.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(1R,2S,4S,6R,9S,10S,11S,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₇H₃₀O₇

0 references

canonical SMILES

O=C(OC)CC1C2(C(=O)C=CC3(C(=O)OC(C4OC5C(=C(C)C(C6=COC=C6)C5)C41C)C32)C)C

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isomeric SMILES

COC(=O)C[C@@H]1[C@]2(C)C3=C(C)[C@@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@H]2OC(=O)[C@@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23

0 references

found in taxon

Azadirachta excelsa

1 reference

stated in

Limonoids from Azadirachta excelsa

Azadirachta indica

2 references

stated in

Identification of nimbidic acid and nimbidinin from Azadirachta indica

stated in

Constituents of Melia indica leaves

Identifiers

InChI

InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15-,16-,17-,21-,22-,23+,25-,26-,27+/m0/s1

0 references

InChIKey

JZIQWNPPBKFOPT-JZTUWLHASA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

JZIQWNPPBKFOPT-JZTUWLHASA-N

1 reference

(Q105137418)

methyl 2-[(1S,2S,4S,6S,9R,10R,11R,15S,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

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