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3-Acetoxy-16-[[(2'-acetoxyethyl)acetylamino]methylene}-5,alpha.-androstan-17-one
SpectraBase Compound ID 9yyXrvfXfIf
InChI InChI=1S/C28H41NO6/c1-17(30)29(12-13-34-18(2)31)16-20-14-25-23-7-6-21-15-22(35-19(3)32)8-10-27(21,4)24(23)9-11-28(25,5)26(20)33/h16,21-25H,6-15H2,1-5H3/b20-16+/t21-,22?,23+,24-,25-,27?,28?/m0/s1
InChIKey ZYDQZWJXXLPTAY-BDOPYVSKSA-N
Mol Weight 487.6 g/mol
Molecular Formula C28H41NO6
Exact Mass 487.293388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1iJK2A8PNa
Name 3-Acetoxy-16-[[(2'-acetoxyethyl)acetylamino]methylene}-5,alpha.-androstan-17-one
Alternate Name(s) (5alpha)-16-({acetyl[2-(acetyloxy)ethyl]amino}methylene)-17-oxoandrostan-3-yl acetate 3.beta.-Acetoxy-16-[[(2'-acetoxyethyl)acetylamino]methylene}-5,alpha.-androstan-17-one
CAS Registry Number 137041-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41NO6
InChI InChI=1S/C28H41NO6/c1-17(30)29(12-13-34-18(2)31)16-20-14-25-23-7-6-21-15-22(35-19(3)32)8-10-27(21,4)24(23)9-11-28(25,5)26(20)33/h16,21-25H,6-15H2,1-5H3/b20-16+/t21-,22?,23+,24-,25-,27?,28?/m0/s1
InChIKey ZYDQZWJXXLPTAY-BDOPYVSKSA-N
Molecular Weight 487.637 g/mol
SMILES C1(\C(C[C@]2([C@@]3(CC[C@]4(CC(CCC4([C@]3(CCC12C)[H])C)OC(=O)C)[H])[H])[H])=C\N(C(=O)C)CCOC(=O)C)=O
SPLASH splash10-001i-0900000000-ed83a9b4ed906d403f6d
Source of Spectrum U-1992-191-2
Wiley ID 763914