Dimenformon prolongatum
[CAS# 62322-24-1]

Identification

• Name: Dimenformon prolongatum
• Synonyms: Benzoic Acid [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 3-Phenylpropanoic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Benzoic Acid [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 3-Phenylpropionic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Dimenformon Prolongatum
• Molecular Formula: C₅₂H₆₀O₆
• Molecular Weight: 781.04
• CAS Registry Number: 62322-24-1
• SMILES: [C@H]35[C@H]1[C@@H](C2=C(CC1)C=C(O)C=C2)CC[C@@]3([C@@H](OC(=O)CCC4=CC=CC=C4)CC5)C.[C@H]78[C@H]6[C@@]([C@@H](O)CC6)(CC[C@@H]7C%10=C(CC8)C=C(OC(=O)C9=CC=CC=C9)C=C%10)C
• InChI: 1S/C27H32O3.C25H28O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18;1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3;2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t22-,23-,24+,25+,27+;20-,21-,22+,23+,25+/m11/s1
• InChIKey: KQOZFKVWPNCLFD-RZCVHGTRSA-N

Properties

• Boiling point: 555.3°C at 760 mmHg (Cal.)
• Flash point: 218.1°C (Cal.)