cholestane-3,7,12,26,27-pentol

Molecule structure of Cholestane-3,7,12,26,27-pentol (CAS NO.2952-70-7):

IUPAC Name: (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol 
Molecular Weight: 452.66702 g/mol
Molecular Formula: C₂₇H₄₈O₅ 
Density: 1.145 g/cm³ 
Boiling Point: 626.3 °C at 760 mmHg 
Flash Point: 265.8 °C
Index of Refraction: 1.553
Molar Refractivity: 126.6 cm³
Molar Volume: 395.1 cm³
Polarizability: 50.18×10^-24 cm³
Surface Tension: 50 dyne/cm 
Enthalpy of Vaporization: 106.26 kJ/mol
Vapour Pressure: 2.61E-18 mmHg at 25 °C
XLogP3-AA: 4
H-Bond Donor: 5
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 452.350175
MonoIsotopic Mass: 452.350175
Topological Polar Surface Area: 101
Heavy Atom Count: 32
Complexity: 638
Defined Atom StereoCenter Count: 11
Canonical SMILES: CC(CCCC(CO)CO)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Isomeric SMILES: C[C@H](CCCC(CO)CO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey of Cholestane-3,7,12,26,27-pentol (CAS NO.2952-70-7): JNMALBXXJSWZQY-BBBUMGABSA-N

A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

 Cholestane-3,7,12,26,27-pentol (CAS NO.2952-70-7) is also named as 5beta-Cholestane-3alpha,7-alpha,12alpha,26,27-pentol ; Cholestane-3,7,12,26,27-pentol, (3alpha,5alpha,7alpha,12alpha)- .