(S)-11,11a-Dihydro-7-Hydroxy-1,1,8-Trimethyl-1H-Dibenzo(a,d)Cycloheptene-4,10-Dione
[CAS# 140670-90-2]

Identification

• Name: (S)-11,11a-Dihydro-7-Hydroxy-1,1,8-Trimethyl-1H-Dibenzo(a,d)Cycloheptene-4,10-Dione
• Synonyms: Xochitloldione
• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.34
• CAS Registry Number: 140670-90-2
• SMILES: [C@H]13C(C=CC(=O)C1=CC2=CC(=C(C=C2C(=O)C3)C)O)(C)C
• InChI: 1S/C18H18O3/c1-10-6-12-11(8-16(10)20)7-13-14(9-17(12)21)18(2,3)5-4-15(13)19/h4-8,14,20H,9H2,1-3H3/t14-/m1/s1
• InChIKey: GRWDPEAJPRQDMG-CQSZACIVSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 514.148°C at 760 mmHg (Cal.)
• Flash point: 278.832°C (Cal.)