Brucein B

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Properties Simple | Detailed

Formula C23H28O11
IUPAC Name brucein b
Molecular Mass 480.462 g·mol−1
Heat of Formation -1922.6 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 508.42 Å 3
Surface Area 385.79 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • bruceine b
  • picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- (9ci)
CAS Number(s)
  • 25514-29-8
InChIKey YDWODLQEUPYKGJ-LZFWDZGBSA-N
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