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Methyl 7alpha-Hydroxy-3alpha-[(methoxysuccinyl)oxy]-5beta-androstan-17beta-carboxylate
SpectraBase Compound ID 7ftLR32muGo
InChI InChI=1S/C26H40O7/c1-25-11-9-16(33-22(29)8-7-21(28)31-3)13-15(25)14-20(27)23-17-5-6-19(24(30)32-4)26(17,2)12-10-18(23)25/h15-20,23,27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23-,25-,26-/m0/s1
InChIKey JLPOZLYFNFXARY-UMASKDELSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H40O7
Exact Mass 464.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID v2Uc9U3yC
Name Methyl 7alpha-Hydroxy-3alpha-[(methoxysuccinyl)oxy]-5beta-androstan-17beta-carboxylate
Alternate Name(s) (3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-(methoxycarbonyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl succinate
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Formula C26H40O7
InChI InChI=1S/C26H40O7/c1-25-11-9-16(33-22(29)8-7-21(28)31-3)13-15(25)14-20(27)23-17-5-6-19(24(30)32-4)26(17,2)12-10-18(23)25/h15-20,23,27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23-,25-,26-/m0/s1
InChIKey JLPOZLYFNFXARY-UMASKDELSA-N
Molecular Weight 464.599 g/mol
SMILES O[C@@]1(C[C@@]2(C[C@@](CC[C@@]2([C@]2(CC[C@@]3([C@](CC[C@]3([C@]12[H])[H])(C(=O)OC)[H])C)[H])C)(OC(CCC(OC)=O)=O)[H])[H])[H]
SPLASH splash10-03dj-0089000000-f3dd2763b8966f5fdd59
Source of Spectrum H-69-1849-7
Wiley ID 1794929