Hemibrevetoxin B

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Properties Simple | Detailed

Formula C28H42O7
IUPAC Name hemibrevetoxin b
Molecular Mass 490.629 g·mol−1
Heat of Formation -1221.2 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 611.12 Å 3
Surface Area 479.06 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • oxepino(3,2-b)pyrano(2',3':5,6)pyrano(2,3-f)oxepin-2-propanal, 9-((3z)-3,5-hexadienyl)hexadecahydro-4,10-dihydroxy-5a,10-dimethyl-alpha-methylene-, (2r,4s,4as,5ar,7as,9r,10s,12ar,13as,14ar)-
  • oxepino(3,2-b)pyrano(2',3':5,6)pyrano(2,3-f)oxepin-2-propanal, 9-(3,5-hexadienyl)hexadecahydro-4,10-dihydroxy-5a,10-dimethyl-alpha- methylene-, (2r-(2alpha,4alpha,4abeta,5abeta,7abeta,9alpha(z),10beta,12aalpha,13aalpha,14aalpha))-
CAS Number(s)
  • 122271-91-4
InChIKey HINDCSLBLBWIIV-HWFPZXRZSA-N
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