4'-Methyltropic acid 3-tropanyl ester
[CAS# 65180-29-2]

Identification

• Name: 4'-Methyltropic acid 3-tropanyl ester
• Synonyms: 4Beta,8Alpha-Diacetoxy-12,13-Epoxytrichothec-9-Ene-3Alpha,15-Diol; Toxin Nt 1; Toxin Nt-1
• Molecular Formula: C₁₉H₂₆O₈
• Molecular Weight: 382.41
• CAS Registry Number: 65180-29-2
• SMILES: [C@@]12(OC1)[C@]3([C@@]4([C@H](O[C@@H]2[C@H](O)[C@H]3OC(=O)C)C=C([C@@H](OC(=O)C)C4)C)CO)C
• InChI: 1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1
• InChIKey: UROCTWOJYLMRHO-WVJYZQHISA-N