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Basic Information
CAS No.: 19466-41-2
Name: Rubrosterone
Molecular Structure:
Molecular Structure of 19466-41-2 (Rubrosterone)
Formula: C19H26 O5
Molecular Weight: 334.412
Synonyms: 5b-Androst-7-ene-6,17-dione, 2b,3b,14-trihydroxy- (8CI); Rubrosteron; Rubrosterone
Density: 1.34g/cm3
Boiling Point: 540.7°Cat760mmHg
Flash Point: 294.8°C
PSA: 94.83000
LogP: 1.14390
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Chemistry

Molecule structure of Rubrosterone (CAS NO.19466-41-2):

IUPAC Name: (2S,3R,5R,9R,10R,13S)-2,3,14-Trihydroxy-10,13-dimethyl-1,2,3,4,5,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-6,17-dione 
Molecular Weight: 334.40674 [g/mol]
Molecular Formula: C19H26O5 
Index of Refraction: 1.609
Molar Refractivity: 86.3 cm3
Molar Volume: 249 cm3
Surface Tension: 62.1 dyne/cm
Density: 1.34 g/cm3
Flash Point: 294.8 °C
Enthalpy of Vaporization: 94.1 kJ/mol
Boiling Point: 540.7 °C at 760 mmHg
Vapour Pressure: 6.06E-14 mmHg at 25 °C
XLogP3-AA: -0.3
H-Bond Donor: 3
H-Bond Acceptor: 5
Tautomer Count: 10
Exact Mass: 334.178024
MonoIsotopic Mass: 334.178024
Topological Polar Surface Area: 94.8
Heavy Atom Count: 24
Canonical SMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2=O)O
Isomeric SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1CCC2=O)O
InChI: InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19?/m0/s1
InChIKey of Rubrosterone (CAS NO.19466-41-2): OMQCWEJQYPUGJG-HGOAFWEXSA-N

Specification

 Rubrosterone (CAS NO.19466-41-2) is also named as Androst-7-ene-6,17-dione, 2,3,14-trihydroxy-, (2beta,3beta,5beta)- ; (2beta,3beta,5beta)-2,3,14-Trihydroxyandrost-7-ene-6,17-dione .