(3β)-20-Oxopregn-5-En-3-Yl Hydrogen Sulfate

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Formula C21H32O5S
IUPAC Name [(3s,8s,9r,10s,13s,14r,17r)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 396.541 g·mol−1
Heat of Formation -1023.0 ± 16.7 kJ·mol−1
Dipole Moment 7.97 ± 1.08 D
Volume 468.58 Å 3
Surface Area 358.28 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
InChIKey DIJBBUIOWGGQOP-CSHZPLHDSA-N
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