EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231480 - (1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl acetate

ChEBI IDCHEBI:231480
ChEBI Name(1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl acetate
Stars
ASCII Name(1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0(2,8).0(12,16)]octadec-12-en-10-yl acetate
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H52O9
Net Charge0
Average Mass604.781
Monoisotopic Mass604.36113
SMILES[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C
InChIInChI=1S/C34H52O9/c1-18(36)40-26-15-25-30(3,4)42-28(39)16-27(41-19(2)37)34(25,9)24-12-13-32(7)21(10-11-23(32)33(24,26)8)20(17-35)14-22(38)29-31(5,6)43-29/h11,20-22,24-27,29,35,38H,10,12-17H2,1-9H3/t20?,21-,22+,24-,25-,26+,27-,29-,32-,33-,34+/m0/s1
InChIKeyBBCQAEMIGQXEIR-JBKRWUOFSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl acetate (CHEBI:231480) is a acetate ester (CHEBI:47622)
(1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl acetate (CHEBI:231480) is a epoxide (CHEBI:32955)
(1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl acetate (CHEBI:231480) is a organic heteropentacyclic compound (CHEBI:38164)
UniProt Name  Source
(1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl acetateUniProt
Citations