(1S,2S,3R,5Z,7E,9Xi,17α)-17-[(2S,4S)-4-(2-Hydroxy-2-Methylpropyl)-2-Methyltetrahydro-2-Furanyl]-2-Methyl-9,10-Secoandrosta-5,7,10-Triene-1,3-Diol

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Properties Simple | Detailed

Formula C29H46O4
IUPAC Name (1r,2s,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4s)-4-(2-hydroxy-2-methyl-propyl)-2-methyl-tetrahydrofuran-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methyl-4-methylene-cyclohexane-1,3-diol
Molecular Mass 458.673 g·mol−1
Heat of Formation -902.9 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 611.37 Å 3
Surface Area 475.17 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
InChIKey CDTXSCLKUNDXBZ-SIYPKADPSA-N
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