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Concept information

Preferred term

بارتولوسید دی  

Type

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

Broader concept

charge

  • 0

formula

  • C44H75Cl3O10

inchi

  • InChI=1S/C44H75Cl3O10/c1-4-6-8-10-11-12-16-22-30(46)23-17-13-19-25-31-34(43-40(53)38(51)33(48)27-55-43)37(50)32(26-20-14-18-24-29(45)21-15-9-7-5-2)42(35(31)47)57-44-41(54)39(52)36(49)28(3)56-44/h28-30,33,36,38-41,43-44,48-54H,4-27H2,1-3H3/t28-,29?,30?,33+,36-,38-,39+,40+,41+,43-,44-/m0/s1

inchikey

  • BRMPFHRPTFWBOB-LLONOIEDSA-N

mass

  • 870.420

monoisotopicmass

  • 868.44258

smiles

  • ClC1=C(O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)C(=C(O)C(=C1CCCCCC(Cl)CCCCCCCCC)[C@@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)CCCCCC(Cl)CCCCCC

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4R,5R,6S)-2-[2-chloro-6-(6-chlorododecyl)-3-(6-chloropentadecyl)-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]phenoxy]-6-methyloxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221463

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