(2S,3S,4E)-2-[(3R,4Ar,6Ar,12S,12As,12Br)-12-Hydroxy-3-(2-Hydroxy-2-Propanyl)-6A,12B-Dimethyl-8,11-Dioxo-1,2,3,4A,5,6,6A,8,11,12,12A,12B-Dodecahydropyrano[3,2-A]Xanthen-9-Yl]-4-Methyl-4-Hexen-3-Yl Acetate
Properties
Property | Value |
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Formula | C30H42O8 |
IUPAC Name | [(e,1s)-1-[(1s)-1-[(3r,4ar,6ar,12s,12as,12br)-12-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]ethyl]-2-methyl-but-2-enyl] acetate |
Molecular Mass | 530.650 g·mol−1 |
Heat of Formation | -1476.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.88 ± 1.08 D |
Volume | 656.84 Å 3 |
Surface Area | 504.31 Å 2 |
HOMO Energy | -9.44 ± 0.55 eV |
LUMO Energy | -1.62 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | CGFWCZMBHASRBJ-CCZFOCGKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |