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17.beta.-Acetoxy-3-methoxy-11-aza-C-homoestra-1,3,5(10),6,8(9)-pentaen-12-one
SpectraBase Compound ID 27OQN572oqP
InChI InChI=1S/C21H23NO4/c1-12(23)26-18-9-8-17-16-6-4-13-10-14(25-3)5-7-15(13)20(16)22-19(24)11-21(17,18)2/h4-7,10,17-18H,8-9,11H2,1-3H3,(H,22,24)/t17?,18-,21-/m0/s1
InChIKey XVSGQYMXNNZPJD-VLQCZPCNSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9t3j3LqGPJ
Name 17.beta.-Acetoxy-3-methoxy-11-aza-C-homoestra-1,3,5(10),6,8(9)-pentaen-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-12(23)26-18-9-8-17-16-6-4-13-10-14(25-3)5-7-15(13)20(16)22-19(24)11-21(17,18)2/h4-7,10,17-18H,8-9,11H2,1-3H3,(H,22,24)/t17?,18-,21-/m0/s1
InChIKey XVSGQYMXNNZPJD-VLQCZPCNSA-N
Molecular Weight 353.418 g/mol
SMILES N1C(C[C@]2(C(c3c1c1c(cc3)cc(cc1)OC)CC[C@@]2(OC(=O)C)[H])C)=O
SPLASH splash10-0udi-0229000000-6bd751d91f1065e5a646
Source of Spectrum SO-0-163-2
Wiley ID 872977