(4alpha,6beta)-16-Hydroxy-12,13-epoxytrichothec-9-en-4-yl (2Z,4E,7S)-6,7-dihydroxy-2,4-octadienoate
[CAS# 86004-56-0]

Identification

• Name: (4alpha,6beta)-16-Hydroxy-12,13-epoxytrichothec-9-en-4-yl (2Z,4E,7S)-6,7-dihydroxy-2,4-octadienoate
• Synonyms: 16-Hydroxytrichodermadienediol A; Trichothec-9-ene-4,16-diol, 12,13-epoxy-, 4-(6,7-dihydroxy-2,4-octadienoate), (4β(2Z,4E,6S,7S))-
• Molecular Formula: C₂₃H₃₂O₇
• Molecular Weight: 420.50
• CAS Registry Number: 86004-56-0
• SMILES: O=C(O[C@H]3[C@@]2([C@]4([C@H](O[C@@H]([C@]21OC1)C3)/C=C(/CO)CC4)C)C)/C=C\C=C\C(O)[C@@H](O)C
• InChI: 1S/C23H32O7/c1-14(25)16(26)6-4-5-7-20(27)30-18-11-19-23(13-28-23)22(18,3)21(2)9-8-15(12-24)10-17(21)29-19/h4-7,10,14,16-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t14-,16?,17+,18+,19+,21+,22+,23-/m0/s1
• InChIKey: VOMLNLQETZSQIE-KMDHFNGNSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 605.918°C at 760 mmHg (Cal.)
• Flash point: 206.552°C (Cal.)