9-beta,10-alpha-ergosta-5,7,22-trien-3-beta-ol

The Lumisterol, with the CAS registry number 474-69-1, is also known as 9β,10α-Ergosta-5,7,22-trien-3β-ol (8CI). It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. Its EINECS number is 207-487-0. This chemical's molecular formula is C₂₈H₄₄O and molecular weight is 396.65. What's more, its systematic name is (3β,9β,10α,22E)-Ergosta-5,7,22-trien-3-ol. This chemcial is a compound that is part of the vitamin D family of steroid compounds. It is the (9β,10α) stereoisomer of ergosterol and was produced as a photochemical by-product in the preparation of vitamin D1, which was a mixture of vitamin D2 and lumisterol.

Physical properties of Lumisterol are: (1)ACD/LogP: 9.301; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.30; (4)ACD/LogD (pH 7.4): 9.30; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 2732092.00; (8)ACD/KOC (pH 7.4): 2732092.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 124.195 cm³; (15)Molar Volume: 394.076 cm³; (16)Polarizability: 49.235×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.007 g/cm³; (19)Flash Point: 216.275 °C; (20)Enthalpy of Vaporization: 88.708 kJ/mol; (21)Boiling Point: 501.495 °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=C/[C@H](C)C(C)C)C)C)[C@]3(C)CC4
(2)Std. InChI: 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
(3)Std. InChIKey: DNVPQKQSNYMLRS-YAPGYIAOSA-N