Sapintoxin A
[CAS# 79083-69-5]

Identification

• Name: Sapintoxin A
• Synonyms: Benzoic Acid, 2-(Methylamino)-, 9A-(Acetyloxy)-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-7B-Hydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1H-Cyclopropa(3,4)Benz(1,2-E)Azulen-9-Yl Ester, (1Ar-(1A-Alpha,1B-Beta,4A-Beta,7A-Alpha,7B-Alpha,8-Alpha,9-Beta,9A-Alpha))-; Sapintoxin A
• Molecular Formula: C₃₀H₃₇NO₇
• Molecular Weight: 523.62
• CAS Registry Number: 79083-69-5
• SMILES: [C@@]14(OC(=O)C)[C@@H](C1(C)C)[C@H]3[C@@](O)([C@H]2[C@@H](C(=O)C(=C2)C)CC(=C3)CO)[C@@H]([C@H]4OC(=O)C5=C(NC)C=CC=C5)C
• InChI: 1S/C30H37NO7/c1-15-11-21-20(24(15)34)12-18(14-32)13-22-25-28(4,5)30(25,38-17(3)33)26(16(2)29(21,22)36)37-27(35)19-9-7-8-10-23(19)31-6/h7-11,13,16,20-22,25-26,31-32,36H,12,14H2,1-6H3/t16-,20+,21-,22+,25-,26-,29+,30-/m1/s1
• InChIKey: KBSBUGUKMIUBEE-WQYXQGCUSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 664.23°C at 760 mmHg (Cal.)
• Flash point: 355.514°C (Cal.)