Tirucallol

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Properties Simple | Detailed

Formula C30H50O
IUPAC Name (3s,5r,10s,13s,14s,17s)-17-[(1s)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 426.717 g·mol−1
Heat of Formation -490.3 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 597.68 Å 3
Surface Area 447.76 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,10s,13s,14s,17s)-17-[(1s)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5r,10s,13s,14s,17s)-4,4,10,13,14-pentamethyl-17-[(2s)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
InChIKey CAHGCLMLTWQZNJ-HGKXYCPESA-N
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