9,19-Cyclolanostan-3-ol,24-methylene-, (3b)- supplier

Name
24-methylene cycloartanol
EINECS
CAS No. 1449-09-8
Article Data4
CAS DataBase
Density 1 g/cm³
Solubility
Melting Point
Formula C₃₁H₅₂O
Boiling Point 512.7 °C at 760 mmHg
Molecular Weight 440.753
Flash Point 226.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 24-Methylenecycloartanol;9,19-Cyclo-24-methylenelanostan-3b-ol;9,19-Cyclo-9b-lanostan-3b-ol, 24-methylene- (7CI,8CI);Cycloartanol, 24-methylene- (6CI);1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene,9,19-cyclolanostan-3-ol deriv.;24(28)-Methylenecycloartanol;24-Methylene-9,19-cyclolanostan-3b-ol;24-Methylenecycloartan-3b-ol;
PSA 20.23000
LogP 8.41490

9,19-Cyclolanostan-3-ol,24-methylene-, (3b)- Specification

The 9,19-Cyclolanostan-3-ol,24-methylene-, (3β)-, with the CAS registry number 1449-09-8, has the systematic name of (9β)-24-methylidene-9,19-cyclolanostan-1-ol. It is also called 24-methylene-cycloartanol. And the molecular formula of this chemical is C₃₁H₅₂O.

The physical properties of 9,19-Cyclolanostan-3-ol,24-methylene-, (3β)- are as following: (1)ACD/LogP: 11.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.08; (4)ACD/LogD (pH 7.4): 11.08; (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)#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: 1.532; (14)Molar Refractivity: 136.35 cm³; (15)Molar Volume: 439.7 cm³; (16)Polarizability: 54.05×10^-24cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1 g/cm³; (19)Flash Point: 226.4 °C; (20)Enthalpy of Vaporization: 90.24 kJ/mol; (21)Boiling Point: 512.7 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]5[C@]4(C[C@@]34CC[C@]12C)C(O)CC[C@@]5(C)C
(2)InChI: InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-16-29(8)25-12-11-24-27(5,6)15-14-26(32)31(24)19-30(25,31)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26?,28-,29+,30+,31-/m1/s1
(3)InChIKey: OBCKWPDFKFQWPK-AADXXDCCBO

Product Name

24-methylene cycloartanol

9,19-Cyclolanostan-3-ol,24-methylene-, (3b)- Specification

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