3-{[(7α,8Xi)-3,20-Dioxopregn-4-En-7-Yl]Sulfanyl}Propanoic Acid

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Properties Simple | Detailed

Formula C24H34O4S
IUPAC Name 3-[(17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl)sulfanyl]propanoic acid
Molecular Mass 418.589 g·mol−1
Heat of Formation -860.8 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 512.69 Å 3
Surface Area 384.16 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
InChIKey BOJZZBMFGDYFER-XOYRLYHHSA-N
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