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5,19-Cycloandrostan-3-one, 17-(benzoyloxy)-, (17.beta.)-
SpectraBase Compound ID HVguLBou98a
InChI InChI=1S/C26H32O3/c1-24-12-11-21-19(10-13-25-15-18(27)9-14-26(21,25)16-25)20(24)7-8-22(24)29-23(28)17-5-3-2-4-6-17/h2-6,19-22H,7-16H2,1H3/t19-,20-,21-,22-,24-,25?,26+/m0/s1
InChIKey LPMOGOFDMNWGIM-JBDDTATISA-N
Mol Weight 392.5 g/mol
Molecular Formula C26H32O3
Exact Mass 392.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rzddDdwSND
Name 5,19-Cycloandrostan-3-one, 17-(benzoyloxy)-, (17.beta.)-
CAS Registry Number 79951-93-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O3
InChI InChI=1S/C26H32O3/c1-24-12-11-21-19(10-13-25-15-18(27)9-14-26(21,25)16-25)20(24)7-8-22(24)29-23(28)17-5-3-2-4-6-17/h2-6,19-22H,7-16H2,1H3/t19-,20-,21-,22-,24-,25?,26+/m0/s1
InChIKey LPMOGOFDMNWGIM-JBDDTATISA-N
Molecular Weight 392.539 g/mol
SMILES [C@]123C(CC(CC3)=O)(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)(OC(=O)c1ccccc1)[H])[H])[H])C2
SPLASH splash10-0a4i-0910000000-547920956281481c3d3c
Source of Spectrum I-59-2816-0
Synonyms 5,10-Methano-6H-cyclopenta[a]phenanthrene, 5,19-cycloandrostan-3-one deriv. 5.beta.,19-cycloandrostan-17.beta.-ol-3-one-17-benzoate
Wiley ID 1366053