Gynodian
[CAS# 81569-96-2]

Identification

• Name: Gynodian
• Synonyms: Heptanoic Acid [(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-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 [(3S,8R,9S,10R,13S,14S)-17-Keto-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-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; Androst-5-En-17-One, 3-((1-Oxoheptyl)Oxy)-, (3Beta)-, Mixt. With (17Beta)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl Pentanoate
• Molecular Formula: C₄₉H₇₂O₆
• Molecular Weight: 757.10
• CAS Registry Number: 81569-96-2
• SMILES: [C@H]12[C@H]4[C@](CC[C@@H]1[C@@]3(C(=CC2)C[C@@H](OC(=O)CCCCCC)CC3)C)(C(=O)CC4)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)29-19-13-15-25(2)18(17-19)9-10-20-21-11-12-23(27)26(21,3)16-14-22(20)25;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/h9,19-22H,4-8,10-17H2,1-3H3;7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t19-,20-,21-,22-,25-,26-;18?,19?,20?,21-,23-/m00/s1
• InChIKey: GRXCBGGBHDQWSK-NDOFSHSBSA-N

Properties

• Boiling point: 497.9°C at 760 mmHg (Cal.)
• Flash point: 211.4°C (Cal.)