| NACRES | NA.79 |
|---|---|
| PubChem Substance ID | 57653661 |
| eCl@ss | 34058017 |
| UNSPSC Code | 12352205 |
| EC Number | 200-014-9 |
| MDL number | MFCD00166988 |
| Beilstein/REAXYS Number | 1916682 |
| InChI key | MECHNRXZTMCUDQ-RKHKHRCZSA-N |
| InChI | 1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1 |
| SMILES string | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@]1([H])CC[C@@]([C@]1(C)CCC/2)([H])C2=C\C=C(C[C@@H](O)CC3)/C3=C |
| biological source | synthetic |
| assay | ≥98.0% (sum of enantiomers, HPLC) |
| form | powder |
| optical activity | [α]20/D +105±2°, c = 4% in ethanol |
| color | colorless to white |
| Quality Level | 100 |
| Gene Information | human ... VDR(7421) |
| mp | 114-118 °C |
| storage temp. | 2-8°C |
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