Estradiol benzoate mixed with progesterone
[CAS# 8000-03-1]

Identification

• Name: Estradiol benzoate mixed with progesterone
• Synonyms: (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; Benzoic Acid [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; (8S,9S,10R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate; Duogynon
• Molecular Formula: C₄₆H₅₈O₅
• Molecular Weight: 690.96
• CAS Registry Number: 8000-03-1
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C.[C@]89(C(C5C(C7=C(CC5)C=C(OC(=O)C6=CC=CC=C6)C=C7)CC8)CC[C@@H]9O)C
• InChI: 1S/C25H28O3.C21H30O2/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26;1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3;12,16-19H,4-11H2,1-3H3/t20?,21?,22?,23-,25-;16-,17+,18-,19-,20-,21+/m00/s1
• InChIKey: MVNXVUVQPCKKIA-IFFSMXJHSA-N

Properties

• Boiling point: 531.2°C at 760 mmHg (Cal.)
• Flash point: 212°C (Cal.)