4-[(1R,3As,3Br,5As,6Ar,7As,9S,11R,11As,12Ar,13Ar,13Bs,15Ar)-3A,11,11A-Trihydroxy-9,13A-Bis(Hydroxymethyl)-15A-Methylicosahydro-1H,7Ah-Cyclopenta[7,8]Phenanthro[2,3-B]Pyrano[3,2-E][1,4]Dioxin-1-Yl]-2(5H)-Furanone

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Formula C29H37O10
IUPAC Name 4-[(1r,3as,3br,5as,6ar,7as,9s,11r,11as,12ar,13ar,13bs,15ar)-3a,11,11a-trihydroxy-9,13a-bis(hydroxymethyl)-15a-methylicosahydro-1h,7ah-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]-2(5h)-furanone
Molecular Mass 545.598 g·mol−1
Heat of Formation -592.0 ± 16.7 kJ·mol−1
Dipole Moment 19.75 ± 1.08 D
Volume 623.88 Å 3
Surface Area 481.05 Å 2
HOMO Energy -5.67 ± 0.55 eV
LUMO Energy -2.51 ± eV
Point Group Symmetry C1
InChIKey HIFCBBCVEWARQA-KQERWQABSA-N
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