Specification
|
Melting point |
168-170°C (lit.) |
|
Boiling point |
407.89°C (rough estimate) |
|
Density |
1.0998 (rough estimate) |
|
Vapour tension |
0Pa at 20℃ |
|
Refractive index |
1.5192 (estimate) |
|
Storage conditon |
Refrigerator |
|
Solubility |
Chloroform, DMSO (Slightly), Methanol (Slightly) |
|
Form |
Solid |
|
Colour |
White to Off-White |
|
Optical activity |
[α]20/D +2.4°, c = 2 in ethanol |
|
Soluble |
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 |
853-23-6 |
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