Pseudoirroratin A

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Properties Simple | Detailed

Formula C20H28O5
IUPAC Name pseudoirroratin a
Molecular Mass 348.433 g·mol−1
Heat of Formation -955.8 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 408.06 Å 3
Surface Area 314.16 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (5beta,7alpha,8alpha,9beta,10alpha,11alpha,13alpha,14r)-7,11,14-trihydroxy-11,20-epoxykaur-16-en-15-one
  • 2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-methyl-8-methylene-5-(1-methylethyl)-, (4ar,5s,8as)-
  • ent-7beta,11alpha,14alpha-trihydroxy-11beta,20-epoxykaur-16-en-15-one
InChIKey NDYPVJHBSKUXPP-VWIBHASISA-N
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