Deladumone
[CAS# 8064-65-1]

Identification

• Name: Deladumone
• Synonyms: Heptanoic Acid [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Pentanoic Acid [(13S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Enanthic Acid [(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Valeric Acid [(13S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Deladumone
• Molecular Formula: C₄₉H₇₂O₆
• Molecular Weight: 757.10
• CAS Registry Number: 8064-65-1
• SMILES: [C@H]24[C@H]1[C@@]([C@@H](OC(=O)CCCCCC)CC1)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C.[C@]78(C(C5C(C6=C(CC5)C=C(O)C=C6)CC7)CC[C@@H]8OC(=O)CCCC)C
• InChI: 1S/C26H40O3.C23H32O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3;1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h17,20-23H,4-16H2,1-3H3;7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t20-,21-,22-,23-,25-,26-;18?,19?,20?,21-,23-/m00/s1
• InChIKey: RVWDHKGCQPULBK-DVBNNDNZSA-N

Properties

• Boiling point: 503.9°C at 760 mmHg (Cal.)
• Flash point: 214.2°C (Cal.)