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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > (1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > (1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
... > 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 > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > (1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > (1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > (1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
... > 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 > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > (1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one

Preferred term

(1s)-1-[(2s,3s,4s,5s,6s)-6-[[(2r,3r,4r,5s,6r,7r,9s)-3,7-dimethoxy-2-[(2r,5s)-5-[(2r,5r)-5-[(2s,3s,4s,5r,6s)-6-methoxy-4-[(2r,5s,6r)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C50H86O17

inchi

  • InChI=1S/C50H86O17/c1-25-41(63-40-22-20-33(54-11)31(7)60-40)27(3)48(10,59-16)66-42(25)36-18-17-34(61-36)35-19-21-38(62-35)47(9)45(57-14)29(5)50(67-47)26(2)37(55-12)23-32(64-50)24-39-46(8,58-15)44(56-13)28(4)49(53,65-39)43(52)30(6)51/h25-29,31-45,52-53H,17-24H2,1-16H3/t25-,26+,27+,28-,29+,31+,32-,33-,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45+,46-,47+,48-,49-,50-/m0/s1

inchikey

  • IVCMUCAHMFWZTM-QPLMXPRDSA-N

mass

  • 959.221

monoisotopicmass

  • 958.58650

smiles

  • O=C([C@H](O)[C@]1(O[C@H]([C@@](OC)(C)[C@H]([C@@H]1C)OC)C[C@H]2O[C@]3(O[C@@]([C@@H]4O[C@H]([C@@H]5O[C@@H]([C@H]6O[C@](OC)([C@H](C)[C@H]([C@@H]6C)O[C@@H]7O[C@@H]([C@@H](OC)CC7)C)C)CC5)CC4)(C)[C@@H]([C@H]3C)OC)[C@H](C)[C@@H](C2)OC)O)C

subset

  • 2_STAR

synonym EXACT

  • (1S)-1-[(2S,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6R,7R,9S)-3,7-dimethoxy-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-methoxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210635

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