(Q104396353)

English

methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-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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type of chemical entity

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1 reference

methyl 2-[(1R,2S,4R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-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,6R,9R,10S,11R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-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

mass

452.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15S,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-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

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-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 InChI

chemical formula

C₂₇H₃₂O₆

0 references

canonical SMILES

O=C(OC)CC1C2(C(=O)C=CC3(C)COC(C4OC5C(=C(C)C(C6=COC=C6)C5)C41C)C32)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[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23

0 references

found in taxon

Azadirachta indica

2 references

stated in

Tetranortriterpenoids related to nimbin and nimbolide from Azadirachta indica A. Juss (Meliaceae)

stated in

Spectroscopic and biological investigation of nimbolide and 28-deoxonimbolide from Azadirachta indica

Owenia cepiodora

1 reference

stated in

Triterpenoids from Owenia Cepiodora

Identifiers

InChI

InChI=1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16-,17+,18-,22-,23+,24-,25+,26+,27-/m1/s1

0 references

InChIKey

CWGBIWRWBCYASK-FDRNEMFGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104396353)

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

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