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1-[17'-.beta.-(1-Ketoethyl).delta.5'-androsten-3'.beta.-oxymethyl]methyl-(5R)-2-pyrrolidone-5-carboxylate
SpectraBase Compound ID 51WHcIOnaMn
InChI InChI=1S/C28H41NO5/c1-17(30)21-7-8-22-20-6-5-18-15-19(11-13-27(18,2)23(20)12-14-28(21,22)3)34-16-29-24(26(32)33-4)9-10-25(29)31/h5,19-24H,6-16H2,1-4H3/t19-,20-,21+,22-,23-,24+,27-,28+/m0/s1
InChIKey KPTQQSFQSYINPK-UEIRIGBZSA-N
Mol Weight 471.6 g/mol
Molecular Formula C28H41NO5
Exact Mass 471.298473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UhgVVYUc1J
Name 1-[17'-.beta.-(1-Ketoethyl).delta.5'-androsten-3'.beta.-oxymethyl]methyl-(5R)-2-pyrrolidone-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41NO5
InChI InChI=1S/C28H41NO5/c1-17(30)21-7-8-22-20-6-5-18-15-19(11-13-27(18,2)23(20)12-14-28(21,22)3)34-16-29-24(26(32)33-4)9-10-25(29)31/h5,19-24H,6-16H2,1-4H3/t19-,20-,21+,22-,23-,24+,27-,28+/m0/s1
InChIKey KPTQQSFQSYINPK-UEIRIGBZSA-N
Molecular Weight 471.638 g/mol
SMILES [C@@]1(N(C(CC1)=O)CO[C@@]1(CC2=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(C(=O)C)[H])[H])[H])[H])(C(=O)OC)[H]
SPLASH splash10-052b-1970000000-0013acad0e699706c091
Source of Spectrum KD-16-3984-14
Wiley ID 1638055