[(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl] 5-Dimethylaminonaphthalene-1-Sulfonate
[CAS# 30808-48-1]

Identification

• Name: [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl] 5-Dimethylaminonaphthalene-1-Sulfonate
• Synonyms: 5-Dimethylamino-1-Naphthalenesulfonic Acid [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 5-Dimethylaminonaphthalene-1-Sulfonic Acid [(8R,9S,13S,14S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; 3-Dansylestradiol
• Molecular Formula: C₃₀H₃₅NO₄S
• Molecular Weight: 505.67
• CAS Registry Number: 30808-48-1
• SMILES: [C@@H]45CCC1=C(C=CC(=C1)O[S](C2=C3C(=CC=C2)C(=CC=C3)N(C)C)(=O)=O)[C@H]4CC[C@]6([C@H]5CC[C@@H]6O)C
• InChI: 1S/C30H35NO4S/c1-30-17-16-22-21-13-11-20(18-19(21)10-12-23(22)26(30)14-15-29(30)32)35-36(33,34)28-9-5-6-24-25(28)7-4-8-27(24)31(2)3/h4-9,11,13,18,22-23,26,29,32H,10,12,14-17H2,1-3H3/t22-,23-,26+,29+,30+/m1/s1
• InChIKey: HPCHMBPQUJEXLJ-XDLBVFQSSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 667.944°C at 760 mmHg (Cal.)
• Flash point: 357.76°C (Cal.)