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Concept information

organooxygen compound > polyketide > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > (1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione

Preferred term

(1s,2s,5r,7r,10s,11s,14r,16r,19s,20s,23r,25r)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C31H50O9

inchi

  • InChI=1S/C31H50O9/c1-7-22-16-25-10-13-27(39-25)20(5)30(33)36-17(2)14-23-8-11-26(37-23)19(4)29(32)35-18(3)15-24-9-12-28(38-24)21(6)31(34)40-22/h17-28H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22-,23-,24-,25-,26+,27+,28+/m1/s1

inchikey

  • KAINWDADJCHLRS-XEGQTWRHSA-N

mass

  • 566.732

monoisotopicmass

  • 566.34548

smiles

  • O=C1O[C@@H](C[C@@H]2O[C@H]([C@@H](C(=O)O[C@@H](C[C@@H]3O[C@H]([C@@H](C(O[C@@H](C[C@@H]4O[C@H]([C@@H]1C)CC4)C)=O)C)CC3)C)C)CC2)CC

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,5R,7R,10S,11S,14R,16R,19S,20S,23R,25R)-5-ethyl-2,11,14,20,23-pentamethyl-4,13,22,28,29,30-hexaoxatetracyclo[23.2.1.17,10.116,19]triacontane-3,12,21-trione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205421

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