3-{[(4Ar,6Ar,7S,10Ar,10Br)-3-(2-Hydroxy-2-Propanyl)-6A,10B-Dimethyl-8-Methylene-4A,5,6,6A,7,8,9,10,10A,10B-Decahydro-1H-Benzo[F]Chromen-7-Yl]Methyl}-2-Methoxy-5,6-Dimethyl-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C28H40O5
IUPAC Name 3-[[(4ar,6ar,7s,10ar,10br)-3-(1-hydroxy-1-methyl-ethyl)-6a,10b-dimethyl-8-methylene-1,4a,5,6,7,9,10,10a-octahydrobenzo[f]chromen-7-yl]methyl]-2-methoxy-5,6-dimethyl-pyran-4-one
Molecular Mass 456.614 g·mol−1
Heat of Formation -887.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 576.28 Å 3
Surface Area 443.3 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey MFJVRDCMRMOVCI-PVAYAEGDSA-N
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