Vaticinone

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Properties Simple | Detailed

Formula C29H44O2
IUPAC Name vaticinone
Molecular Mass 424.658 g·mol−1
Heat of Formation -480.5 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 572.05 Å 3
Surface Area 429.78 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (23e)-27-nor-cycloart-23-en-3,25-dione
  • 2-naphthalenecarboxylic acid, 5-(beta-d-glucopyranosyloxy)-4-methoxy-
  • 4,4,13,14-tetramethyl-17-(1-methyl-5-oxo-hex-3-enyl)-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-one
  • rel-(1r,3as,3bs,5ar,9ar,10as,12ar)-3a,6,6,12a-tetramethyl-1-[(1r,3e)-1-methyl-5-oxohex-3-en-1-yl]tetradecahydro-7h-cyclopenta[a]cyclopropa[e]phenanthren-7-one (non-preferred name)
InChIKey SRSDDLZWQZWBBZ-FFGFJAQXSA-N
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