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60816-17-3

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Basic Information
CAS No.: 60816-17-3
Name: Cholesterol-26,26,26,27,27,27-D6
Article Data: 2
Molecular Structure:
Molecular Structure of 60816-17-3 (Cholesterol-26,26,26,27,27,27-D6)
Formula: C27H40D6O
Molecular Weight: 392.614
Synonyms: CHOLESTEROL-26,26,26,27,27,27-D6
Density: 1.003 g/cm3
Melting Point: 147-149 °C
Boiling Point: 480.648 °C at 760 mmHg
Flash Point: 209.291 °C
PSA: 20.23000
LogP: 7.38870
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Specification

The Cholesterol-26,26,26,27,27,27-D6 ,its cas register number is 60816-17-3.The Systematic name about this chemicals is (3beta)-(26,26,26,27,27,27-~2~H_6_)Cholest-5-en-3-ol .Following are the chemical properties :(1)#H bond acceptors: 1 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 6 ; (4)Polar Surface Area: 20.23 Å2 ; (5)Index of Refraction: 1.525 ; (6)Molar Refractivity: 119.974 cm3 ; (7)Molar Volume: 391.428 cm3 ; (8)Surface Tension: 38.168 dyne/cm ; (9)Enthalpy of Vaporization: 85.88 kJ/mol . It belongs to the following product categories, such as Standards - 13C & 2H for GC-Mass Spectrometry, Metabolic Research, Other, Stable Isotopes . It can be used as medicine intermediate.

This chemicals can be described computed from structure:
(1)SMILES: [2H]C([2H])([2H])C(CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] (2)InChI: InChI=1/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19?,21-,22?,23?,24?,25?,26?,27?/m0/s1/i1D3,2D3
(3)InChIKey: HVYWMOMLDIMFJA-FWRRQEQHFY