(1R,3S,3Ar,5Ar,7Ar,9S,11As,12R,13Ar,13Br)-1,9,12-Trihydroxy-3A-(Hydroxymethyl)-3-Isopropyl-5A,8,8,11A,13A-Pentamethyl-1,2,3,3A,4,5,5A,7,7A,8,9,10,11,11A,12,13,13A,13B-Octadecahydro-6H-Cyclopenta[A]Chrysen-6-One

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Formula C30H48O5
IUPAC Name (1r,3s,3ar,5ar,7ar,9s,11as,12r,13ar,13br)-1,9,12-trihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-2,3,4,5,7,7a,9,10,11,12,13,13b-dodecahydro-1h-cyclopenta[a]chrysen-6-one
Molecular Mass 488.699 g·mol−1
Heat of Formation -1155.1 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 609.61 Å 3
Surface Area 436.33 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
InChIKey HJCQEFXCUBGQOE-RWPYJWJNSA-N
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