(7S,13E,16S,18R,19E,21R)-7,18,21-Trihydroxy-16,18-Dimethyl-10-Phenyl-(11)Cytochalasa-5,13,19-Trien-1-One
[CAS# 108050-26-6]

Identification

• Name: (7S,13E,16S,18R,19E,21R)-7,18,21-Trihydroxy-16,18-Dimethyl-10-Phenyl-(11)Cytochalasa-5,13,19-Trien-1-One
• Synonyms: 1H-Cycloundec(D)Isoindol-1-One, 2,3,3A,6,6A,9,10,11,12,15-Decahydro-6,12,15-Trihydroxy-4,5,10,12-Tetramethyl-3-(Phenylmethyl)-, (3S,3Ar,6S,6Ar,7E,10S,12R,13E,15R,15Ar)-; 1H-Cycloundec(D)Isoindol-1-One, 2,3,3A,6,6A,9,10,11,12,15-Decahydro-6,12,15-Trihydroxy-4,5,10,12-Tetramethyl-3-(Phenylmethyl)-, (3S-(3R*,3As*,6R*,6As*,7E,10R*,12S*,13E,15S*,15As*))-; Cytochalasin Opho
• Molecular Formula: C₂₈H₃₇NO₄
• Molecular Weight: 451.60
• CAS Registry Number: 108050-26-6
• SMILES: C4=C(CC1NC(=O)C23C1C(=C(C(O)C2\C=C\CC(CC(O)(/C=C/C3O)C)C)C)C)C=CC=C4
• InChI: 1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+
• InChIKey: UMHVFKLUODBPSC-KRQHZRJMSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 679.51°C at 760 mmHg (Cal.)
• Flash point: 364.755°C (Cal.)