3-Chloro-6-hydroxy-4-methoxy-2-methyl-Benzoic acid (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester
[CAS# 102092-23-9]

Identification

• Name: 3-Chloro-6-hydroxy-4-methoxy-2-methyl-Benzoic acid (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-ylester
• Molecular Formula: C₂₄H₃₁ClO₆
• Molecular Weight: 450.96
• CAS Registry Number: 102092-23-9
• SMILES: [C@@H]12[C@@]4(C(=C([C@@H](O)[C@@H]1CC(C2)(C)C)CO)[C@H](OC(=O)C3=C(O)C=C(OC)C(=C3C)Cl)C4)C
• InChI: 1S/C24H31ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,12,14,17,21,26-28H,7-10H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1
• InChIKey: OMAGQTXDHXASNM-RNNQDMPLSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 599.619°C at 760 mmHg (Cal.)
• Flash point: 316.438°C (Cal.)