17BETA(H), 21BETA(H)-HOPANE

The Hopane, with the CAS registry number 471-62-5, is also known as A'-Neogammacerane. This chemical's molecular formula is C₃₀H₅₂ and molecular weight is 412.73388. Its IUPAC name is called 3R,3alphaS,5alphaR,5betaR,7alphaS,11alphaS,11betaR,13alphaR,13betaS)-5alpha,5beta,8,8,11alpha,13beta-hexamethyl-3-propan-2-yl-1,2,3,3alpha,4,5,6,7,7alpha,9,10,11,11beta,12,13,13alpha-hexadecahydrocyclopenta[a]chrysene.

Physical properties of Hopane: (1)ACD/LogP: 13.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.33; (4)ACD/LogD (pH 7.4): 13.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 130.67 cm³; (12)Molar Volume: 446.1 cm³; (13)Surface Tension: 31.1 dyne/cm; (14)Density: 0.925 g/cm³; (15)Flash Point: 221.8 °C; (16)Enthalpy of Vaporization: 69 kJ/mol; (17)Boiling Point: 457.4 °C at 760 mmHg; (18)Vapour Pressure: 4.06E-08 mmHg at 25°C.

Hopanoids are pentacyclic compounds, whose primary function is to improve plasma membrane fluidity in Bacteria. In eukaryotes cholesterol serves a similar function. In many bacteria hopanoids may play important roles in the adjustment of cell membrane permeability and adaptation to extreme environmental conditions. In the ethanol fermenting bacterium Zymomonas mobilis hopanoids may have a role in adaptation of cell membranes to ethanol accumulation and to temperature changes which influence membrane functions.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. Besides, it may cause damage to health. This chemical may present an immediate or delayed danger to one or more components of the environment. In addition, it is irritating to skin. This chemical is very toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. If swallowed, you should not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: [C@@H]54[C@]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)CCC2)CC3)C)(C)CC4)(C)CC[C@@H]5C(C)C
(2)InChI: InChI=1/C30H52/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20-25H,9-19H2,1-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
(3)InChIKey: ZRLNBWWGLOPJIC-PYQRSULMBH