Physicochemical Properties
| Molecular Formula | C28H44O |
| Molecular Weight | 396.65 |
| Exact Mass | 396.339 |
| CAS # | 474-69-1 |
| Related CAS # | Ergosterol;57-87-4 |
| PubChem CID | 6436872 |
| Appearance | White to off-white solid powder |
| Density | 1g/cm3 |
| Boiling Point | 501.5ºC at 760mmHg |
| Melting Point | 118ºC |
| Flash Point | 216.3ºC |
| Vapour Pressure | 3.7E-12mmHg at 25°C |
| Index of Refraction | 1.542 |
| LogP | 7.33 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 29 |
| Complexity | 712 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C |
| InChi Key | DNVPQKQSNYMLRS-YAPGYIAOSA-N |
| InChi Code | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27+,28+/m0/s1 |
| Chemical Name | (3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Protective Effects of Novel Derivatives of Vitamin D 3 and Lumisterol Against UVB-induced Damage in Human Keratinocytes Involve Activation of Nrf2 and p53 Defense Mechanisms. Redox Biol. 2019 Jun;24:101206. |
| Additional Infomation | A steroid occurring in FUNGI. Irradiation with ULTRAVIOLET RAYS results in formation of ERGOCALCIFEROL (vitamin D2). |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (252.11 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.30 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.30 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5211 mL | 12.6056 mL | 25.2111 mL | |
| 5 mM | 0.5042 mL | 2.5211 mL | 5.0422 mL | |
| 10 mM | 0.2521 mL | 1.2606 mL | 2.5211 mL |