[(5β,8Alpha,9β,10Alpha,12Alpha,15β)-15,18-Dihydroxy-18-Oxoatisan-17-Yl](Methyl)Sulfoniumolate

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Properties Simple | Detailed

Formula C21H34O4S
IUPAC Name [(5beta,8alpha,9beta,10alpha,12alpha,15beta)-15,18-dihydroxy-18-oxoatisan-17-yl](methyl)sulfoniumolate
Molecular Mass 382.557 g·mol−1
Heat of Formation -905.9 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 460.14 Å 3
Surface Area 353.36 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
InChIKey RSTMEZAVUUMLEO-TYFKICDJSA-N
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