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17.beta.-acetoxy-N-(phenylthio)-4-aza-3-androstanone
SpectraBase Compound ID FPJ46Nt92F5
InChI InChI=1S/C26H35NO3S/c1-17(28)30-23-12-10-20-19-9-11-22-25(2,21(19)13-15-26(20,23)3)16-14-24(29)27(22)31-18-7-5-4-6-8-18/h4-8,19-23H,9-16H2,1-3H3/t19-,20-,21-,22?,23-,25+,26-/m0/s1
InChIKey SRBXGFDLRSLOIA-VWBMUWCESA-N
Mol Weight 441.6 g/mol
Molecular Formula C26H35NO3S
Exact Mass 441.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8exV0RRT8S
Name 17.beta.-acetoxy-N-(phenylthio)-4-aza-3-androstanone
CAS Registry Number 114462-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO3S
InChI InChI=1S/C26H35NO3S/c1-17(28)30-23-12-10-20-19-9-11-22-25(2,21(19)13-15-26(20,23)3)16-14-24(29)27(22)31-18-7-5-4-6-8-18/h4-8,19-23H,9-16H2,1-3H3/t19-,20-,21-,22?,23-,25+,26-/m0/s1
InChIKey SRBXGFDLRSLOIA-VWBMUWCESA-N
Molecular Weight 441.630 g/mol
SMILES C12N(C(CC[C@@]2([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]3(OC(=O)C)[H])[H])C)[H])C)=O)Sc1ccccc1
SPLASH splash10-0006-9200000000-acb08b2d8848eb2f8048
Source of Spectrum J-54-1909-8
Synonyms (4aR,4bS,6aS,7S,9aS,9bR)-4a,6a-dimethyl-2-oxo-1-(phenylsulfanyl)hexadecahydro-1H-indeno[5,4-f]quinolin-7-yl acetate
Wiley ID 1385102