(4Z,6Z,8Z,10E)-5,6,9,12,15a-Pentamethyl-13,14,15,15a-tetrahydro-2-benzoxacyclotridecin-3(1H)-one
[CAS# 83860-24-6]

Identification

• Name: (4Z,6Z,8Z,10E)-5,6,9,12,15a-Pentamethyl-13,14,15,15a-tetrahydro-2-benzoxacyclotridecin-3(1H)-one
• Synonyms: 12-Hydroxymethylretinoic acid δ-lactone; Retinoic acid, 12-(hydroxymethyl)-, δ-lactone, 11-cis-
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 83860-24-6
• SMILES: O=C/1OCC2(C(\C=C\C(=C/C=C(\C(=C\1)C)C)C)=C(/CCC2)C)C
• InChI: 1S/C21H28O2/c1-15-8-10-16(2)18(4)13-20(22)23-14-21(5)12-6-7-17(3)19(21)11-9-15/h8-11,13H,6-7,12,14H2,1-5H3/b11-9+,15-8-,16-10-,18-13-
• InChIKey: HEMJVRDBQOCAAN-SMGFGXPBSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 480.152°C at 760 mmHg (Cal.)
• Flash point: 203.306°C (Cal.)