(3alpha,4beta) -12,13-Epoxy-Trichothec-9-Ene-3,4,15-Triol 3-Acetate
[CAS# 70402-13-0]

Identification

• Name: (3alpha,4beta) -12,13-Epoxy-Trichothec-9-Ene-3,4,15-Triol 3-Acetate
• Synonyms: (3-Alpha,4-Beta-)-3-Acetoxyscirpene-4,15-Diol; Nsc298222; Trichothec-9-Ene-3,4,15-Triol, 12,13-Epoxy-, 3-Acetate, (3Alpha,4Beta)-
• Molecular Formula: C₁₇H₂₄O₆
• Molecular Weight: 324.37
• CAS Registry Number: 70402-13-0
• SMILES: [C@H]2([C@H]([C@]3(C)[C@@]1(CO)CCC(=C[C@H]1O[C@H]2[C@@]34CO4)C)O)OC(C)=O
• InChI: 1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(22-10(2)19)13(20)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15-,16-,17+/m1/s1
• InChIKey: NFFRTZSZVQIMDJ-OINWIYPRSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 461.109°C at 760 mmHg (Cal.)
• Flash point: 165.399°C (Cal.)