small molecule

5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE

Molecular Formula: C25H38O5
Molecular Weight:: 418.5662
InChiKey:: UVTGFMKBPVLATL-DSOJQRAMSA-N
InChi:: InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1
SMILES:: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O)C(C)=O
IUPAC Name:: 4-{[(1S,2S,5S,7S,10R,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-5-yl]oxy}-4-oxobutanoic acid
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