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Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > acetal > ketal > grisorixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > acetal > ketal > grisorixin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > acetal > ketal > grisorixin

Preferred term

grisorixin  

Type

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

Broader concept

charge

  • 0

formula

  • C40H68O10

inchi

  • InChI=1S/C40H68O10/c1-21-12-13-28(45-33(21)26(6)36(41)42)18-29-19-30(44-11)27(7)40(47-29)25(5)20-38(9,50-40)32-14-15-37(8,48-32)35-23(3)17-31(46-35)34-22(2)16-24(4)39(10,43)49-34/h21-35,43H,12-20H2,1-11H3,(H,41,42)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1

inchikey

  • ZITSQIZMRMDQLE-SJSJOXFOSA-N

mass

  • 708.974

monoisotopicmass

  • 708.48125

smiles

  • O=C(O)[C@@H]([C@@H]1O[C@H](CC[C@@H]1C)C[C@H]2O[C@]3(O[C@@]([C@@H]4O[C@@]([C@@H]5O[C@@H]([C@H]6O[C@](O)([C@H](C)C[C@@H]6C)C)C[C@@H]5C)(C)CC4)(C)C[C@H]3C)[C@H](C)[C@@H](C2)OC)C

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198321

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