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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > withanolide > 1-acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > withanolide > 1-acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside
... > organooxygen compound > ester > lactone > steroid lactone > withanolide > 1-acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside
... > organooxygen compound > oxacycle > lactone > steroid lactone > withanolide > 1-acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside

Preferred term

1-acetyl-3,27-dihydroxywitha-5,24-dienolide 3-glucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C36H54O11

inchi

  • InChI=1S/C36H54O11/c1-17-12-27(46-33(43)23(17)15-37)18(2)24-8-9-25-22-7-6-20-13-21(45-34-32(42)31(41)30(40)28(16-38)47-34)14-29(44-19(3)39)36(20,5)26(22)10-11-35(24,25)4/h6,18,21-22,24-32,34,37-38,40-42H,7-16H2,1-5H3

inchikey

  • SKADEWVNQSRPEJ-UHFFFAOYSA-N

mass

  • 662.817

monoisotopicmass

  • 662.36661

smiles

  • O(C1C2(C3C(C4C(C(CC4)C(C5OC(=O)C(=C(C5)C)CO)C)(CC3)C)CC=C2CC(OC6OC(C(O)C(O)C6O)CO)C1)C)C(=O)C

subset

  • 2_STAR

synonym EXACT

  • [17-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188247

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