(1R,2S,3R,14β,17β)-17-[(2R)-6-Hydroxy-6-Methyl-2-Heptanyl]-2-Methyl-9,10-Secoestra-4,8-Dien-6-Yne-1,3-Diol

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol
Molecular Mass 414.621 g·mol−1
Heat of Formation -584.0 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 562.96 Å 3
Surface Area 470.61 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey YCBJWNMIMDLOPD-ADFBMCJESA-N
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