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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |