Formula |
C20H32O4 |
IUPAC Name |
(1r,2r,6r,7s,10r,12s,13s)-13-hydroxy-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0 1,10 .0 2,7 ]hexadecan-5-one |
Molecular Mass |
336.466 g·mol−1 |
Heat of Formation |
-898.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.42 ± 1.08 D |
Volume |
411.71 Å 3 |
Surface Area |
317.92 Å 2 |
HOMO Energy |
-10.00 ± 0.55 eV |
LUMO Energy |
0.58 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-ketoaphidicolin
- 8,11a-methano-11ah-cyclohepta(a)naphthalene-3(2h)-one, dodecahydro-9-hydroxy-4,9-bis(hydroxymethyl)-4,11b-dimethyl-, (4r-(4alpha,4aalpha,6abeta,8beta,9beta,11abeta,1bbeta))-
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InChIKey |
PCKFULMONJBMIR-XVJCOFAPSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
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