(4aS,4bR,10bS,12aS)-6,8-Dihydroxy-11,12a-Dimethyl-2,3,4,4a,4b,5,6,10b,11,12-Decahydrochrysen-1-One
[CAS# 150490-87-2]

Identification

• Name: (4aS,4bR,10bS,12aS)-6,8-Dihydroxy-11,12a-Dimethyl-2,3,4,4a,4b,5,6,10b,11,12-Decahydrochrysen-1-One
• Synonyms: 6-Hydroxy-D-Homo-8-Isoestrone Methyl Ether; 6-Oh-Dhime; D-Homoestra-1,3,5(10)-Trien-17-One, 3,6-Dihydroxy-, Ether With Methanol
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 150490-87-2
• SMILES: [C@@H]23[C@@H](C1=CC=C(O)C=C1C(O)C2)C(C[C@]4([C@H]3CCCC4=O)C)C
• InChI: 1S/C20H26O3/c1-11-10-20(2)16(4-3-5-18(20)23)15-9-17(22)14-8-12(21)6-7-13(14)19(11)15/h6-8,11,15-17,19,21-22H,3-5,9-10H2,1-2H3/t11?,15-,16+,17?,19-,20+/m1/s1
• InChIKey: XOCWSPCVMKOABQ-JFJAULRUSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 504.661°C at 760 mmHg (Cal.)
• Flash point: 273.101°C (Cal.)