8-N-Pentanoylneosolaniol
[CAS# 116163-74-7]

Identification

• Name: 8-N-Pentanoylneosolaniol
• Synonyms: Trichothec-9-Ene-3,4,8,15-Tetrol, 12,13-Epoxy-, 4,15-Diacetate 8-Pentanoate, (3Alpha,4Beta,8Alpha)-; 8-Pentanoylneosolaniol
• Molecular Formula: C₂₄H₃₄O₉
• Molecular Weight: 466.53
• CAS Registry Number: 116163-74-7
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](OC(=O)CCCC)C(=C3)C)COC(=O)C)[C@H](O)[C@H]4OC(=O)C)C
• InChI: 1S/C24H34O9/c1-6-7-8-18(27)32-16-10-23(11-29-14(3)25)17(9-13(16)2)33-21-19(28)20(31-15(4)26)22(23,5)24(21)12-30-24/h9,16-17,19-21,28H,6-8,10-12H2,1-5H3/t16-,17+,19+,20+,21+,22+,23+,24?/m0/s1
• InChIKey: QXHICULSTMOREA-GOLADLMOSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 549.277°C at 760 mmHg (Cal.)
• Flash point: 178.773°C (Cal.)