2-hydroxy-4-methoxy-6-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# 127500-59-8]

Identification

• Name: 2-hydroxy-4-methoxy-6-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: C₂₄H₃₀O₇
• Molecular Weight: 430.50
• CAS Registry Number: 127500-59-8
• SMILES: [C@]23([C@@](O)([C@H](OC(=O)C1=C(C=C(OC)C=C1O)C)C2)C(=C[C@@]4(O)[C@@H]3CC(C4)(C)C)C=O)C
• InChI: 1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3/t17-,18-,22-,23+,24+/m1/s1
• InChIKey: JGQMXVRWAOSIBE-NUXVFQDLSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 593.518°C at 760 mmHg (Cal.)
• Flash point: 200.55°C (Cal.)