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Methyl 3alpha-[(Methoxysuccinyl)-Oxy]-5beta-androst-8(14)-en-17beta-carboxylate
SpectraBase Compound ID DQYbTQ8iZqs
InChI InChI=1S/C26H38O6/c1-25-13-11-17(32-23(28)10-9-22(27)30-3)15-16(25)5-6-18-19-7-8-21(24(29)31-4)26(19,2)14-12-20(18)25/h16-17,20-21H,5-15H2,1-4H3/t16-,17-,20+,21-,25+,26+/m1/s1
InChIKey FRJNNOTUIXJVJA-JCGSOTEUSA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmOoK7jpqB9
Name Methyl 3alpha-[(Methoxysuccinyl)-Oxy]-5beta-androst-8(14)-en-17beta-carboxylate
Alternate Name(s) (3R,5R,9R,10S,13R,17S)-17-(methoxycarbonyl)-10,13-dimethyl-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl succinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-25-13-11-17(32-23(28)10-9-22(27)30-3)15-16(25)5-6-18-19-7-8-21(24(29)31-4)26(19,2)14-12-20(18)25/h16-17,20-21H,5-15H2,1-4H3/t16-,17-,20+,21-,25+,26+/m1/s1
InChIKey FRJNNOTUIXJVJA-JCGSOTEUSA-N
Literature Reference DOI 10.1002/hlca.19860690810
Molecular Weight 446.584 g/mol
SMILES [C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CCC4=C3CC[C@@]2(C1)[H])(C(=O)OC)[H])C)[H])C)(OC(CCC(OC)=O)=O)[H]
SPLASH splash10-0bta-9088000000-7ec02fc3a996de386b00
Source of Spectrum H-69-1849-9
Wiley ID 1794930