Melting point |
168-170 °C(lit.) |
Boiling point |
407.89°C (rough estimate) |
Density |
1.0998 (rough estimate) |
vapor pressure |
0Pa at 20℃ |
refractive index |
1.5192 (estimate) |
storage temp. |
Refrigerator |
solubility |
Chloroform, DMSO (Slightly), Methanol (Slightly) |
form |
Solid |
color |
White to Off-White |
optical activity |
[α]20/D +2.4°, c = 2 in ethanol |
Water Solubility |
11.5mg/L(temperature not stated) |
InChI |
InChI=1/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/s3 |
InChIKey |
NCMZQTLCXHGLOK-KJBVPOJVSA-N |
SMILES |
C[C@]12CC[C@H](OC(=O)C)CC1=CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H] |&1:1,4,13,15,21,25,r| |
LogP |
5.1 at 20℃ |
CAS DataBase Reference |
853-23-6 |
FDA UNII |
45751H45MY |