(3S,8R,9S,10R,13S,14S,16S)-3,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-One
[CAS# 1159-68-8]

Identification

• Name: (3S,8R,9S,10R,13S,14S,16S)-3,16-Dihydroxy-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-One
• Synonyms: 16Beta-Hydroxydehydroepiandrosterone; Androst-5-En-17-One, 3,16-Dihydroxy-, (3Beta,16Beta)-
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.43
• CAS Registry Number: 1159-68-8
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2(C(=CC1)C[C@H](CC2)O)C)CC3)C[C@@H](C4=O)O)C
• 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/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
• InChIKey: QQIVKFZWLZJXJT-HLUDHZFRSA-N

Properties

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