1,3-Trimethylene-2',5-Epoxyandrostane-3,17-Diol 17-Propionate
[CAS# 117306-07-7]

Identification

• Name: 1,3-Trimethylene-2',5-Epoxyandrostane-3,17-Diol 17-Propionate
• Synonyms: Teadp
• Molecular Formula: C₅₁H₈₀O₉
• Molecular Weight: 837.19
• CAS Registry Number: 117306-07-7
• SMILES: [C@@]34([C@H]1[C@@H]([C@@H]2[C@@](CC1)([C@H](OC(=O)CC)CC2)C)CCC35O[C@@H]6C[C@H]4C[C@@](O)(C5)C6)C.[C@@]9%10([C@H]7[C@@H]([C@@H]8[C@@](CC7)([C@H](OC(=O)CC)CC8)C)CCC9%11O[C@@H]%12C[C@H]%10C[C@@](O)(C%11)C%12)C.CO
• InChI: 1S/2C25H38O4.CH4O/c2*1-4-21(26)28-20-6-5-18-17-7-10-25-14-24(27)12-15(11-16(13-24)29-25)23(25,3)19(17)8-9-22(18,20)2;1-2/h2*15-20,27H,4-14H2,1-3H3;2H,1H3/t2*15-,16+,17+,18+,19+,20+,22+,23-,24-,25?;/m00./s1
• InChIKey: JTGONHZGLCOYSX-MTNXGAANSA-N

Properties

• Boiling point: 511°C at 760 mmHg (Cal.)
• Flash point: 167.9°C (Cal.)