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(+)-17.beta.-(Acetoxy)-(5.beta.)-10-azaestran-3.alpha.-ol
SpectraBase Compound ID LtlicPG2qCW
InChI InChI=1S/C19H31NO3/c1-12(21)23-18-6-5-16-15-4-3-13-11-14(22)8-10-20(13)17(15)7-9-19(16,18)2/h13-18,22H,3-11H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+/m1/s1
InChIKey QSXILTRRSDTCPR-DLEIETQISA-N
Mol Weight 321.46 g/mol
Molecular Formula C19H31NO3
Exact Mass 321.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FQooLkBiC
Name (+)-17.beta.-(Acetoxy)-(5.beta.)-10-azaestran-3.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO3
InChI InChI=1S/C19H31NO3/c1-12(21)23-18-6-5-16-15-4-3-13-11-14(22)8-10-20(13)17(15)7-9-19(16,18)2/h13-18,22H,3-11H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+/m1/s1
InChIKey QSXILTRRSDTCPR-DLEIETQISA-N
Molecular Weight 321.461 g/mol
SMILES O[C@@]1(CCN2[C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(OC(=O)C)[H])[H])([H])CC[C@@]2(C1)[H])[H])[H]
SPLASH splash10-001r-9100000000-27ee7b110f8813c231f0
Source of Spectrum J-63-4115-12
Synonyms (2R,5aS,7aS,8S,10aS,10bS,12aR)-2-hydroxy-7a-methylhexadecahydrocyclopenta[f]pyrido[1,2-a]quinolin-8-yl acetate Acetic acid (2R,5aS,7aS,8S,10aS,10bS,12aR)-2-hydroxy-7a-methyl-hexadecahydro-indeno[4,5-c]quinolizin-8-yl ester
Wiley ID 1321034