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Basic Information
CAS No.: 641-82-7
Name: 17b-Methyl-5a-androstane-3a,17b-diol
Article Data: 18
Molecular Structure:
Molecular Structure of 641-82-7 (17b-Methyl-5a-androstane-3a,17b-diol)
Formula: C20H34O2
Molecular Weight: 306.489
Synonyms: 5a-Androstane-3a,17b-diol, 17-methyl- (6CI,7CI,8CI);17-Methyl-5a-androstan-3a,17b-diol;17a-Methyl-5a-androstan-3a,17b-diol;17a-Methyl-5a-androstane-3a,17b-diol;Ba 2664;NSC 51177;
Density: 1.069 g/cm3
Boiling Point: 418.1 °C at 760 mmHg
Flash Point: 184.4 °C
Appearance: white crystalline powder
PSA: 40.46000
LogP: 4.14100
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Specification

The 17b-Methyl-5a-androstane-3a,17b-diol ,its cas register number is 641-82-7 .It also can be called as 17-Methyl-5alpha-androstan-3alpha,17beta-diol , 17alpha-Methyl-5alpha-androstan-3alpha,17beta-diol and the IPUAC name about this chemicals is (3R,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol .

Following are the chemical properties about 17b-Methyl-5a-androstane-3a,17b-diol :(1)#H bond acceptors: 2 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 18.46 Å ; (5)Index of Refraction: 1.537 ; (6)Molar Refractivity: 89.56 cm3 ; (7)Molar Volume: 286.5 cm3  ; (8)Surface Tension: 41.8 dyne/cm; (9)Enthalpy of Vaporization: 77.58 kJ/mol ; (10)Vapour Pressure: 9.7E-09 mmHg at 25°C .

The 17b-Methyl-5a-androstane-3a,17b-diol is white crystalline powder and it can be used as male hormone and anabolic hormones.

This chemicals can be described computed from structure:
(1)Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4(C)O)C)O
(2)Isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O
(3)InChI: InChI=1S/C20H34O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13-17,21-22H,4-12H2,1-3H3/t13-,14+,15+,16-,17-,18-,19-,20-/m0/s1 
(4)InChIKey: QGKQXZFZOIQFBI-XSWYFRFISA-N