(17Z)-11,20-Dihydroxy-3-Oxopregna-4,17-Dien-21-Al

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Properties Simple | Detailed

Formula C21H28O4
IUPAC Name (2z)-2-hydroxy-2-[(8s,9s,10r,11r,13s,14s)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde
Molecular Mass 344.445 g·mol−1
Heat of Formation -709.8 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 423.13 Å 3
Surface Area 336.45 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey JVIOAMIJLAYISK-AAQFULCYSA-N
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