Erisimin

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Formula C29H42O9
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-3-[(2r,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 534.638 g·mol−1
Heat of Formation -1740.0 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 621.72 Å 3
Surface Area 465.5 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
InChIKey QBILRDAMJUPXCX-YYSTWCIWSA-N
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Elements H C O