Testololactone
[CAS# 4416-57-3]

Identification

• Name: Testololactone
• Synonyms: (4As,4Br,10Ar,10Bs,12As)-10A,12A-Dimethyl-4,4A,4B,5,6,9,10,10B,11,12-Decahydro-3H-Naphtho[6,5-F]Chromene-2,8-Quinone; 13,17-Secoandrost-4-En-17-Oic Acid, 13-Hydroxy-3-Oxo-, Delta-Lactone (8Ci); Testololactone
• Molecular Formula: C₁₉H₂₆O₃
• Molecular Weight: 302.41
• CAS Registry Number: 4416-57-3
• SMILES: [C@@H]24[C@@]1(C(=CC(=O)CC1)CC[C@H]2[C@H]3[C@](OC(=O)CC3)(C)CC4)C
• InChI: 1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
• InChIKey: CNIXJDVUMXTEKX-DZBHQSCQSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 478.245°C at 760 mmHg (Cal.)
• Flash point: 211.247°C (Cal.)