Scuterivulactone D
[CAS# 112609-09-3]

Identification

• Name: Scuterivulactone D
• Synonyms: [(1S,3S,4R,4Ar,7R,8R,8As)-3,7,8-Trihydroxy-3,4,8,8A-Tetramethyl-4-[(E)-2-(5-Oxo-2H-Furan-3-Yl)Vinyl]Decalin-1-Yl] Benzoate; Benzoic Acid [(1S,3S,4R,4Ar,7R,8R,8As)-3,7,8-Trihydroxy-3,4,8,8A-Tetramethyl-4-[(E)-2-(5-Oxo-2H-Furan-3-Yl)Vinyl]-1-Decalinyl] Ester; Benzoic Acid [(1S,3S,4R,4Ar,7R,8R,8As)-3,7,8-Trihydroxy-4-[(E)-2-(5-Keto-2H-Furan-3-Yl)Vinyl]-3,4,8,8A-Tetramethyl-Decalin-1-Yl] Ester
• Molecular Formula: C₂₇H₃₄O₇
• Molecular Weight: 470.56
• CAS Registry Number: 112609-09-3
• SMILES: [C@@]24([C@@H]([C@](/C=C/C1=CC(=O)OC1)(C)[C@](C[C@@H]2OC(=O)C3=CC=CC=C3)(O)C)CC[C@H]([C@@]4(O)C)O)C
• InChI: 1S/C27H34O7/c1-24(13-12-17-14-22(29)33-16-17)19-10-11-20(28)27(4,32)26(19,3)21(15-25(24,2)31)34-23(30)18-8-6-5-7-9-18/h5-9,12-14,19-21,28,31-32H,10-11,15-16H2,1-4H3/b13-12+/t19-,20-,21+,24-,25+,26+,27+/m1/s1
• InChIKey: OLMPIDWZCBHRNQ-VBCSIWJFSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 616.369°C at 760 mmHg (Cal.)
• Flash point: 201.964°C (Cal.)