(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate (Q27467564)

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

19 October 2016

chemical formula

C₂₇H₃₉NO₅

1 reference

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

19 October 2016

canonical SMILES

CCC1C(C=CC(=O)C(CC(C(C(C(=O)O1)C)OC(=O)C2=CC=CC=C2CN(C)C)C)C)C

1 reference

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

19 October 2016

isomeric SMILES

CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)C2=CC=CC=C2CN(C)C)C)C)C

1 reference

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

InChI=1S/C27H39NO5/c1-8-24-17(2)13-14-23(29)18(3)15-19(4)25(20(5)26(30)32-24)33-27(31)22-12-10-9-11-21(22)16-28(6)7/h9-14,17-20,24-25H,8,15-16H2,1-7H3/b14-13+/t17-,18-,19+,20-,24-,25+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

MOCRSXQIFXBPAF-JBTKYFGMSA-N

19 October 2016

InChIKey

1 reference

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

19 October 2016

1 reference

(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate (English)

19 October 2016

2 references

(3r,4s,5s,7r,9e,11r,12r)-12-Ethyl-3,5,7,11-Tetramethyl-2,8-Dioxooxacyclododec-9-En-4-Yl 2-[(Dimethylamino)methyl]benzoate (English)

matched by identifier from

19 October 2016

InChIKey

MOCRSXQIFXBPAF-JBTKYFGMSA-N

1 reference

0 references

1 reference

4UMZ (English)