7-Dehydrocholesterol

It is also found in the milk of several mammalian species. It was discovered by Nobel-laureate organic chemist Adolf Windaus.

Reported in EPA TSCA Inventory.

The 7-Dehydrocholesterol, with the CAS registry number 434-16-2, is also known as Provitamine. It belongs to the product categories of Pharmaceutical Raw Materials; Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. Its EINECS registry number is 207-100-5. This chemical's molecular formula is C₂₇H₄₄O and molecular weight is 384.64. What's more, its systematic name is called (3β)-Cholesta-5,7-dien-3-ol. It should be stored in a cool, dry and well-ventilated place. When you are dealing with this chemical, you should avoid contacting with skin and eyes. This chemical can be prepared by extraction from the pigskin or can use the cholesterol by esterification, bromination, eliminate and hydrolysiswith. 7-Dehydrocholesterol is a zoosterol that functions in the serum as a cholesterol precursor, and functioning as provitamin-D₃ because it can be converted to vitamin D₃ in the skin. Via an intermediate isomer pre-vitamin D₃, the presence of this compound in human skin enables humans to manufacture vitamin D₃ from ultra-violet rays in the sun light.

Physical properties about 7-Dehydrocholesterol are: (1)ACD/LogP: 9.218; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.22; (4)ACD/LogD (pH 7.4): 9.22; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 2465147.00; (8)ACD/KOC (pH 7.4): 2465147.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 119.678 cm³; (15)Molar Volume: 383.996 cm³; (16)Polarizability: 47.444×10^-24 cm³; (17)Surface Tension: 38.875 dyne/cm; (18)Density: 1.002 g/cm³; (19)Flash Point: 212.294 °C; (20)Enthalpy of Vaporization: 87.653 kJ/mol; (21)Boiling Point: 493.744 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@@H]4C/C3=C/C=C1\[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)[C@@]3(C)CC4
(2) InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
(3) InChIKey: UCTLRSWJYQTBFZ-DDPQNLDTSA-N