(8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol, [(8S,13S,14S,17S)-13-Methyl-3-Oxo-2,6,7,8,14,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 39450-18-5]

Identification

• Name: (8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol, [(8S,13S,14S,17S)-13-Methyl-3-Oxo-2,6,7,8,14,15,16,17-Octahydro-1H-Cyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(8S,13S,14S,17S)-13-Methyl-3-Oxo-2,6,7,8,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,17-Diol; Acetic Acid [(8S,13S,14S,17S)-3-Keto-13-Methyl-2,6,7,8,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; (8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,17-Diol; (8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,17-Diol; [(8S,13S,14S,17S)-13-Methyl-3-Oxo-2,6,7,8,14,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₃₈H₄₈O₅
• Molecular Weight: 584.79
• CAS Registry Number: 39450-18-5
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C4=C(CC3)C=C(O)C=C4)C.[C@H]78[C@H]6C(=C5C(=CC(=O)CC5)CC6)C=C[C@@]7([C@@H](OC(=O)C)CC8)C
• InChI: 1S/C20H24O3.C18H24O2/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h9-11,17-19H,3-8H2,1-2H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t17-,18+,19+,20+;14-,15-,16+,17+,18+/m11/s1
• InChIKey: QEIXJGGCWUIRNP-ZPUUBZGTSA-N

Properties

• Boiling point: 486.7°C at 760 mmHg (Cal.)
• Flash point: 214.7°C (Cal.)