3-Chloro-6-hydroxy-4-methoxy-2-methyl-Benzoic acid 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester
[CAS# 127486-63-9]

Identification

• Name: 3-Chloro-6-hydroxy-4-methoxy-2-methyl-Benzoic acid 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut(e)inden-2-yl ester
• Molecular Formula: C₂₄H₂₉ClO₇
• Molecular Weight: 464.94
• CAS Registry Number: 127486-63-9
• SMILES: [C@]23([C@@](O)([C@H](OC(=O)C1=C(O)C=C(OC)C(=C1C)Cl)C2)C(=C[C@@]4(O)[C@@H]3CC(C4)(C)C)C=O)C
• InChI: 1S/C24H29ClO7/c1-12-18(14(27)6-15(31-5)19(12)25)20(28)32-17-9-22(4)16-8-21(2,3)11-23(16,29)7-13(10-26)24(17,22)30/h6-7,10,16-17,27,29-30H,8-9,11H2,1-5H3/t16-,17-,22-,23+,24+/m1/s1
• InChIKey: XOGUZUVXPLTDMB-FUVFEPFRSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 617.886°C at 760 mmHg (Cal.)
• Flash point: 327.486°C (Cal.)