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Chemistry, part 1

Content language

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Concept information

organooxygen compound > [(2r,3r,4s,5s)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate

Preferred term

[(2r,3r,4s,5s)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H54O15

has_functional_parent

inchi

  • InChI=1S/C32H54O15/c1-16(2)9-22(34)41-14-21-29(44-24(36)11-18(5)6)30(45-25(37)12-19(7)8)32(46-21,15-42-23(35)10-17(3)4)47-31-28(40)27(39)26(38)20(13-33)43-31/h16-21,26-31,33,38-40H,9-15H2,1-8H3/t20-,21-,26-,27+,28-,29-,30+,31-,32+/m1/s1

inchikey

  • SKOYDNZXMHBVBB-CBMGPWMLSA-N

mass

  • 678.769

monoisotopicmass

  • 678.34627

smiles

  • O1[C@@](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)([C@@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1COC(=O)CC(C)C)COC(=O)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4S,5S)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182003

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