Chemical Properties of Androst-6-ene-17beta-carboxylic acid, 3alpha-acetamido (CAS 5906-01-4)

Androst-6-ene-17beta-carboxylic acid, 3alpha-acetamido

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InChI
InChI=1S/C22H33NO3/c1-13(24)23-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(25)26)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,23,24)(H,25,26)
InChI Key
RDQLUVCEWHEPOU-UHFFFAOYSA-N
Formula
C22H33NO3
SMILES
CC(O)=NC1CCC2(C)C(=CCC3C2CCC2(C)C(C(=O)O)CCC32)C1
Molecular Weight1
359.50
CAS
5906-01-4
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Physical Properties

Property Value Unit Source
ΔfH°gas -565.85 kJ/mol Joback Calculated Property
ΔvapH° 106.30 kJ/mol Joback Calculated Property
log10WS -5.21 Crippen Calculated Property
logPoct/wat 4.995 Crippen Calculated Property
McVol 292.090 ml/mol McGowan Calculated Property
Pc 1567.23 kPa Joback Calculated Property
Tboil 1056.47 K Joback Calculated Property
Tc 1296.62 K Joback Calculated Property

Similar Compounds

Triamcinolone Acetonide. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Nalmefene, bis(trifluoroacetate). Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. norbormide. Ceftazidime. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 11-Hydroxy-.DELTA.-9-tetrahydrocannabinol, bis(trimethylsilyl) ether. Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3«beta»,23«beta»)-. Indane-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Galantamin. 3-propionyl-morphine.

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