(1R)-1-[(3R,4As,5S,6As,10As,10Br)-5-Hydroxy-3,4A,7,7,10A-Pentamethyldodecahydro-1H-Benzo[F]Chromen-3-Yl]-1,2-Ethanediol

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Properties Simple | Detailed

Formula C20H36O4
IUPAC Name (1r)-1-[(3r,4as,5s,6as,10as,10br)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-3-yl]ethane-1,2-diol
Molecular Mass 340.497 g·mol−1
Heat of Formation -992.1 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 439.96 Å 3
Surface Area 333.91 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[(3r,4as,5s,6as,10as,10br)-5-hydroxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1h-benzo[f]chromen-3-yl]ethane-1,2-diol
  • 1,2-ethanediol, 1-(dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1h-naphtho(2,1-b)pyran-3-yl)-, (3r-(3alpha(r*),4abeta,5beta,6aalpha,10abeta,10balpha))-
  • 7,14,15,-trihydroxy-13-epoxylabdane
InChIKey YWTBYYFVZRIQQE-OCDWHGDGSA-N
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