21α-Hydroxyfriedelan-3-One

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Formula C30H50O2
IUPAC Name (3r,4as,6as,6ar,6bs,8as,9r,12as,14as,14br)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1h-picen-3-olate
Molecular Mass 442.717 g·mol−1
Heat of Formation 347.5 ± 16.7 kJ·mol−1
Dipole Moment 32.70 ± 1.08 D
Volume 571.24 Å 3
Surface Area 408.45 Å 2
HOMO Energy -4.88 ± 0.55 eV
LUMO Energy -3.70 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,4as,6as,6as,6br,8as,10r,12ar,14as,14bs)-10-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1h-picen-3-one
  • 21-hydroxyfriedelan-3-one
  • d:a-friedooleanan-3-one, 21-hydroxy-, (21alpha)-
CAS Number(s)
  • 59995-80-1
InChIKey VLNRAGRUEHHINT-ZXNIMFAASA-N
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