[(9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,9,11,12,14,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
[CAS# 126647-89-0]

Identification

• Name: [(9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,9,11,12,14,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-Yl] Hydrogen Sulfate
• Synonyms: Estra-1,3,5(10),7-Tetraene-3,17-Diol, 3-(Hydrogen Sulfate), (17Beta)-; 17-Dihydroequilin 3-Sulfate
• Molecular Formula: C₁₈H₂₂O₅S
• Molecular Weight: 350.43
• CAS Registry Number: 126647-89-0
• SMILES: [C@H]12[C@@]([C@@H](O)CC1)(CC[C@H]3C2=CCC4=C3C=CC(=C4)O[S](=O)(=O)O)C
• InChI: 1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22)/t14-,16+,17+,18+/m1/s1
• InChIKey: IVPYDRYLQPJSBW-UBDQQSCGSA-N

Properties

• Density: 1.429g/cm³ (Cal.)