
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 302904-82-1 |
| Catalog No. | 2A-9056417 |
| Chinese Name | 阿托骨化醇 |
| Synonyms | UNII-PR3292R3H7; Atocalcitol; Atocalcitol [INN]; Atocalcitolum; Atocalcitolum [INN-Latin] |
| Molecular Formula | C32H46O4 |
| Molecular Weight | 494.70500 |
| Purity | 98.00 |
| Density | 1.12g/cm3 |
| Boiling Point | 636.3ºC at 760mmHg |
| Application | Atrocalcidol is a vitamin D3 analog used in psoriasis research [1]. |
| SMILES | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)COCc2cccc(C(C)(C)O)c2)CC(O)CC1O |
| InChI | InChI=1S/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/b24-11+,25-12-/t21-,27+,28+,29-,30-,32+/m0/s1 |
| InChI Key | CFIFSLBCJAXYTC-FJLAUVHZSA-N |
| Transport Info | Product Name: Atocalcitol |
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