Tirandalydigin
[CAS# 114118-91-1]

Identification

• Name: Tirandalydigin
• Synonyms: 4-[(2E,4E,6R)-6-[(1R,5R,6S,7R)-1,6-Dimethylspiro[8,9-Dioxabicyclo[3.3.1]Non-3-Ene-2,2'-Oxirane]-7-Yl]-4-Methyl-Hepta-2,4-Dienoyl]-5-Hydroxy-1,2-Dihydropyrrol-3-One; 4-[(2E,4E,6R)-6-[(1R,5R,6S,7R)-1,6-Dimethyl-7-Spiro[8,9-Dioxabicyclo[3.3.1]Non-3-Ene-2,2'-Oxirane]Yl]-4-Methyl-1-Oxohepta-2,4-Dienyl]-5-Hydroxy-1,2-Dihydropyrrol-3-One; 4-[(2E,4E,6R)-6-[(1R,5R,6S,7R)-1,6-Dimethylspiro[8,9-Dioxabicyclo[3.3.1]Non-3-Ene-2,2'-Oxirane]-7-Yl]-4-Methyl-Hepta-2,4-Dienoyl]-5-Hydroxy-2-Pyrrolin-3-One
• Molecular Formula: C₂₂H₂₇NO₆
• Molecular Weight: 401.46
• CAS Registry Number: 114118-91-1
• SMILES: [C@]13(O[C@@H]([C@@H]([C@H](O1)[C@H](C)\C=C(C)\C=C\C(=O)C2=C(O)NCC2=O)C)C=CC34OC4)C
• InChI: 1S/C22H27NO6/c1-12(5-6-15(24)18-16(25)10-23-20(18)26)9-13(2)19-14(3)17-7-8-22(11-27-22)21(4,28-17)29-19/h5-9,13-14,17,19,23,26H,10-11H2,1-4H3/b6-5+,12-9+/t13-,14+,17-,19-,21-,22?/m1/s1
• InChIKey: OVPXYDRCUOKUSP-ZJLJSLEGSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 541.461°C at 760 mmHg (Cal.)
• Flash point: 281.266°C (Cal.)