(1R,2R,4aS,10aR)-1,7-Bis(Hydroxymethyl)-1,4a-Dimethyl-2,3,4,9,10,10a-Hexahydrophenanthrene-2,6-Diol
[CAS# 152564-71-1]

Identification

• Name: (1R,2R,4aS,10aR)-1,7-Bis(Hydroxymethyl)-1,4a-Dimethyl-2,3,4,9,10,10a-Hexahydrophenanthrene-2,6-Diol
• Synonyms: (1R,2R,4As,10Ar)-1,4A-Dimethyl-1,7-Dimethylol-2,3,4,9,10,10A-Hexahydrophenanthrene-2,6-Diol; 1,2,3,4,4A,9,10,10A-Octahydro-2,6-Dihydroxy-1,4A-Dimethyl-1,7-Phenanthrenedimethanol (1Alpha,2Alpha,4Abeta,10Aalpha)-(+-)-; 1,7-Bis(Hydroxymethyl)-1,4A-Dimethyl-1,2,3,4,4A,9,10,10A-Octahydro-2,6-Phenanthrenediol
• Molecular Formula: C₁₈H₂₆O₄
• Molecular Weight: 306.40
• CAS Registry Number: 152564-71-1
• SMILES: [C@@]2([C@@H](CC[C@@]3(C1=C(C=C(C(=C1)O)CO)CC[C@@H]23)C)O)(CO)C
• InChI: 1S/C18H26O4/c1-17-6-5-16(22)18(2,10-20)15(17)4-3-11-7-12(9-19)14(21)8-13(11)17/h7-8,15-16,19-22H,3-6,9-10H2,1-2H3/t15-,16-,17-,18+/m1/s1
• InChIKey: OVWWJPDVMIKQJH-TVFCKZIOSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 500.691°C at 760 mmHg (Cal.)
• Flash point: 233.796°C (Cal.)