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Concept information

Preferred term

(15a,20R) Dihydroxypregn 4 en 3 one 20 [گلوکوزیل (1 > 4) 6 استیل گلوکوزید]  

Type

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

charge

  • 0

formula

  • C35H54O14

inchi

  • InChI=1S/C35H54O14/c1-15(21-12-22(39)25-19-6-5-17-11-18(38)7-9-34(17,3)20(19)8-10-35(21,25)4)46-32-30(44)28(42)31(24(48-32)14-45-16(2)37)49-33-29(43)27(41)26(40)23(13-36)47-33/h11,15,19-33,36,39-44H,5-10,12-14H2,1-4H3

inchikey

  • UXRVDKWULKVYPG-UHFFFAOYSA-N

mass

  • 698.803

monoisotopicmass

  • 698.35136

smiles

  • OC1C2C(C(C1)C(OC3OC(C(OC4OC(C(O)C(O)C4O)CO)C(O)C3O)COC(=O)C)C)(CCC5C2CCC=6C5(CCC(=O)C6)C)C

subset

  • 2_STAR

synonym EXACT

  • [4,5-dihydroxy-6-[1-(15-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192108

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