NSC9159
Molecular Formula:
C28H38O8
InChI: InChI=1/C28H38O8/c1-25(2,13-22(32)33)14-23(34)36-15-21(31)28(35)10-8-19-18-6-5-16-11-17(29)7-9-26(16,3)24(18)20(30)12-27(19,28)4/h7,9,11,18-20,24,30,35H,5-6,8,10,12-15H2,1-4H3,(H,32,33)/t18-,19-,20-,24+,26-,27-,28-/m0/s1/f/h32H
InChIKey: InChIKey=RLELKNVPYJNKPC-OSUIWKDPDV
SMILES: CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)CC(=O)O)O)CCC4=CC(=O)C=CC34C)O
Names:
NSC9159
Pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-, 21- (hydrogen 3,3-dimethylglutarate)
Pregna-1,4-diene-3,20-dione, 21-(4-carboxy-3,3-dimethyl-1-oxobutoxy)-11,17-dihydroxy-, (11.beta.)-
5-[2-[(8R,9R,10S,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-3,3-dimethyl-5-oxo-pentanoic acid
Registries:
PubChem CID 222617
PubChem ID 74686
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