11-Keto-Pregnanetriol
[CAS# 603-99-6]

Identification

• Name: 11-Keto-Pregnanetriol
• Synonyms: 5.Beta.-Pregnane-3.Alpha.,17.Alpha.,20.Alpha.-Triol-11-One; Nsc79097; Pregnan-11-One, 3,17,20-Trihydroxy-, (3.Alpha.,5.Beta.,20S)-
• Molecular Formula: C₂₁H₃₄O₄
• Molecular Weight: 350.50
• CAS Registry Number: 603-99-6
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](C(C1)=O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@]4([C@H](C)O)O
• InChI: 1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1
• InChIKey: WKFXHNDWEHDGQD-ZQRGSSBZSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 507.448°C at 760 mmHg (Cal.)
• Flash point: 274.785°C (Cal.)