Primosiston
[CAS# 37218-07-8]

Identification

• Name: Primosiston
• Synonyms: Benzoic Acid [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Hexanoic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Benzoic Acid [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Hexanoic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S,17R)-17-Ethanoyl-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl] Hexanoate; [(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate
• Molecular Formula: C₅₂H₆₈O₇
• Molecular Weight: 805.11
• CAS Registry Number: 37218-07-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](OC(=O)CCCCC)(CC4)C(=O)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/C27H40O4.C25H28O3/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4;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/h17,21-23H,5-16H2,1-4H3;2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t21-,22+,23+,25+,26+,27+;20?,21?,22?,23-,25-/m10/s1
• InChIKey: HQIVZEFPJVFEEY-BHKQTLOYSA-N

Properties

• Boiling point: 536.4°C at 760 mmHg (Cal.)
• Flash point: 227.6°C (Cal.)