Trichodesmine
[CAS# 548-90-3]

Identification

• Name: Trichodesmine
• Synonyms: (13Alpha,14Alpha)-14,19-Dihydro-12,13-Dihydroxy-19-Methylcrotalanan-11,15-Dione; 2H-(1,6)Dioxacycloundecino(2,3,4-Gh)Pyrrolizine-2,6(3H)-Dione, 4,5,8,10,12,13,13A,13B-Decahydro-4,5-Dihydroxy-4,5-Dimethyl-3-(1-Methylethyl)-, (3R,4R,5R,13Ar,13Br)-
• Molecular Formula: C₁₈H₂₇NO₆
• Molecular Weight: 353.41
• CAS Registry Number: 548-90-3
• SMILES: [C@]2([C@](C(OCC1=CCN3[C@H]1[C@H](OC([C@@H]2C(C)C)=O)CC3)=O)(O)C)(O)C
• InChI: 1S/C18H27NO6/c1-10(2)13-15(20)25-12-6-8-19-7-5-11(14(12)19)9-24-16(21)18(4,23)17(13,3)22/h5,10,12-14,22-23H,6-9H2,1-4H3/t12-,13+,14-,17-,18+/m1/s1
• InChIKey: SOODLZHDDSGRKL-FOOXYVKASA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 546.461°C at 760 mmHg (Cal.)
• Flash point: 284.289°C (Cal.)