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4beta-Hydroxywithanolide E

PropertiesImageOccurences in reactions
MNX_IDMNXM118042Image of MNXM118042
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC28H38O8
charge0
mass502.25667
referencechebi:176191
InChIKeyUPBUGICUKQIKTJ-KABTZXSUSA-N
InChIInChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1
SMILESCC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:176191
chebi:176191 		4beta-Hydroxywithanolide E
(1S,2R,6S,7R,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
hmdb:HMDB0034059 4beta-Hydroxywithanolide E
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
4-b-HYDROXY-withanolide e
4-beta-Hydroxy-withanolide e
4-beta-Hydroxywithanolide e
4b-Hydroxywithanolide e
4beta-hydroxywithanolide e
5,6b-Epoxy-4b,14a,17b,20S-tetrahydroxy-1-oxo-5b,22R-witha-2,24-dienolide
lipidmaps:LMST01160010
lipidmapsM:LMST01160010 		4beta-Hydroxywithanolide E
15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-6,12,15-trihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-3-one
O8
ST 28:6
hmdb:HMDB34059 secondary/obsolete/fantasy identifier