5alpha,6alpha-Epoxy-3beta,17-Dihydroxy-16alpha-Methylpregnan-20-One
[CAS# 56630-87-6]

Identification

• Name: 5alpha,6alpha-Epoxy-3beta,17-Dihydroxy-16alpha-Methylpregnan-20-One
• Synonyms: 5Alpha,6Alpha-Epoxy-3Beta,17-Dihydroxy-16Alpha-Methylpregnan-20-One
• Molecular Formula: C₂₂H₃₄O₄
• Molecular Weight: 362.51
• CAS Registry Number: 56630-87-6
• EINECS: 260-293-8
• SMILES: [C@]45([C@H]([C@H]2[C@@H]([C@@]3(C1(OC1C2)C[C@H](CC3)O)C)CC4)C[C@H]([C@@]5(C(=O)C)O)C)C
• InChI: 1S/C22H34O4/c1-12-9-17-15-10-18-21(26-18)11-14(24)5-7-19(21,3)16(15)6-8-20(17,4)22(12,25)13(2)23/h12,14-18,24-25H,5-11H2,1-4H3/t12-,14+,15-,16+,17+,18?,19-,20+,21?,22+/m1/s1
• InChIKey: KJCQIPXVQPRPPF-JQFUTELFSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 505.644°C at 760 mmHg (Cal.)
• Flash point: 172.345°C (Cal.)