(5α,22Xi,25R)-Spirost-1-En-3-One

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Formula C27H40O3
IUPAC Name (1s,2s,4s,5'r,6s,7s,8r,9s,12s,13r,18s)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-14-ene-6,2'-tetrahydropyran]-16-one
Molecular Mass 412.605 g·mol−1
Heat of Formation -715.5 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 525.3 Å 3
Surface Area 401.98 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
InChIKey GNGRJSXLQYQGKU-ZANGPXJKSA-N
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