3-Methoxyestra-1,3,5(10)-Trien-17beta-Ol Phenylcarbamate
[CAS# 43085-16-1]

Identification

• Name: 3-Methoxyestra-1,3,5(10)-Trien-17beta-Ol Phenylcarbamate
• Synonyms: N-Phenylcarbamic Acid [(17S)-3-Methoxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 17-Beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-Triene-3-Methyl Ether; Brn 2309320
• Molecular Formula: C₂₆H₃₁NO₃
• Molecular Weight: 405.54
• CAS Registry Number: 43085-16-1
• SMILES: [C@@H]5(OC(=O)NC1=CC=CC=C1)C4(C(C2C(C3=C(CC2)C=C(OC)C=C3)CC4)CC5)C
• InChI: 1S/C26H31NO3/c1-26-15-14-21-20-11-9-19(29-2)16-17(20)8-10-22(21)23(26)12-13-24(26)30-25(28)27-18-6-4-3-5-7-18/h3-7,9,11,16,21-24H,8,10,12-15H2,1-2H3,(H,27,28)/t21?,22?,23?,24-,26?/m0/s1
• InChIKey: PQMLUQDWRKGALJ-IIZYZSMLSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 518.318°C at 760 mmHg (Cal.)
• Flash point: 267.27°C (Cal.)