514-62-5

Name 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)-
CAS 514-62-5
Molecular Formula C20H30O
MDL Number MFCD02094185
Molecular Weight 286.45
MOL File 514-62-5.mol

Chemical Properties

Melting point  56-57℃
Boiling point  388.1±31.0 °C(Predicted)
density  0.988±0.06 g/cm3 (20 ºC 760 Torr)
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 10.89±0.60(Predicted)
color  White to off-white
Optical Rotation +40.616 (c4, ethanol)
InChI InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
InChIKey QXNWVJOHUAQHLM-AZUAARDMSA-N
SMILES C1=C2C([C@]3(C)[C@@]([H])(CC2)C(C)(C)CCC3)=CC(O)=C1C(C)C

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