Thymeleatoxin
[CAS# 94482-56-1]

Identification

• Name: Thymeleatoxin
• Synonyms: Daphnetoxin, 12-((1-Oxo-3-Phenyl-2-Propenyl)Oxy)-, (12Beta)-; Thymeleatoxin
• Molecular Formula: C₃₆H₃₆O₁₀
• Molecular Weight: 628.67
• CAS Registry Number: 94482-56-1
• SMILES: [C@@H]16[C@]4(OC2(O[C@H]1[C@@](O2)([C@H](OC(=O)\C=C\C3=CC=CC=C3)[C@H]4C)C(=C)C)C5=CC=CC=C5)[C@H]8[C@](O)([C@H](O)[C@]7(O[C@@H]67)CO)C(=O)C(=C8)C
• InChI: 1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-
• InChIKey: OTTFLYUONKAFGT-WOYWLKGSSA-N