[(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-Yl] Sulfamate
[CAS# 148672-09-7]

Identification

• Name: [(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-3-Yl] Sulfamate
• Synonyms: Sulfamic Acid [(8R,9S,13S,14S)-13-Methyl-17-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Sulfamic Acid [(8R,9S,13S,14S)-17-Keto-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-((Aminosulfonyl)Oxy)Estra-1,3,5(10)-Trien-17-One
• Molecular Formula: C₁₈H₂₃NO₄S
• Molecular Weight: 349.44
• CAS Registry Number: 148672-09-7
• SMILES: [C@H]23[C@H]1[C@@](C(=O)CC1)(CC[C@@H]2C4=C(CC3)C=C(O[S](=O)(=O)N)C=C4)C
• InChI: 1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
• InChIKey: RVKFQAJIXCZXQY-CBZIJGRNSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 530.924°C at 760 mmHg (Cal.)
• Flash point: 274.893°C (Cal.)