Ustusolate E
[CAS# 1175543-06-2]

Identification

• Name: Ustusolate E
• Synonyms: 9α-hydroxy-6β-(6-oxohex-2E,4E-dienoyloxy)-5α-drim-7-en-11,12-olide; 2,4-Hexadienoic acid, 6-oxo-, (5R,5aS,9aS,9S)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester, (2E,4E)-
• Molecular Formula: C₂₁H₂₆O₆
• Molecular Weight: 374.43
• CAS Registry Number: 1175543-06-2
• SMILES: CC1(CCCC2(C1C(C=C3C2(C(=O)OC3)O)OC(=O)C=CC=CC=O)C)C
• InChI: 1S/C21H26O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,11-12,15,17,25H,7,9-10,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1
• InChIKey: NTEIYTQTTHYBTI-BEFOBABASA-N

Properties

• Density: 1.24±0.1g/cm³ (Cal.)
• Boiling point: 549.1±50.0°C (Cal.)
• solubility: Soluble in Methanol