(3S,8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-Dodecahydrocyclopenta[a]Phenanthren-16-One
[CAS# 1159-66-6]

Identification

• Name: (3S,8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-Dodecahydrocyclopenta[a]Phenanthren-16-One
• Synonyms: Androst-5-En-16-One, 3,17-Dihydroxy-, (3Beta,17Beta)- (9Ci); Nsc 71306; Androst-5-En-16-One, 3,17-Dihydroxy-, (3.Beta.,17.Beta.)-
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.43
• CAS Registry Number: 1159-66-6
• SMILES: [C@@]34(C)[C@@H]1[C@H]([C@H]2[C@@](CC1)(C)[C@H](C(C2)=O)O)CC=C3C[C@H](CC4)O
• InChI: 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
• InChIKey: AKRBLZKRYPEVIK-PEMPUTJUSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 469.641°C at 760 mmHg (Cal.)
• Flash point: 251.945°C (Cal.)