Sodwanone S

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Formula C30H44O5
IUPAC Name (5as,6s,7s,9as)-6-[2-[(4s,5s,7as)-4,5-dimethyl-2-(oxomethylene)-5,6,7,7a-tetrahydrobenzofuran-4-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one; prop-1-yne
Molecular Mass 484.667 g·mol−1
Heat of Formation -1204.0 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 641.14 Å 3
Surface Area 466.45 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 3.78 ± eV
Point Group Symmetry C1
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InChIKey KKTMKQNIICOHDR-UDZSLJHISA-N
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