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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-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 > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-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 > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > (1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione

Preferred term

(1r,4s,5'r,6'r,10s,11r,12r,14r,15r,16s,18r,19s,20r,25s,26r,27s,29s)-4-ethyl-11,15,19-trihydroxy-6'-[(2s)-2-hydroxypropyl]-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione  

Type

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

Broader concept

charge

  • 0

formula

  • C45H74O10

inchi

  • InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m1/s1

inchikey

  • CMMLZMMKTYEOKV-LMBDXJSXSA-N

mass

  • 775.065

monoisotopicmass

  • 774.52820

smiles

  • CC[C@H]1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)C)OC(=O)C=C[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@H]([C@@H]([C@H](CC=CC=C1)C)O)C)C)O)C)C)O)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94476

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