(6S,7S,13E,16S,18R,19E,21R)-21-(acetyloxy)-6,7,18-trihydroxy-16,18-dimethyl-10-phenyl-(11)Cytochalasa-13,19-dien-1-one
[CAS# 108050-27-7]

Identification

• Name: (6S,7S,13E,16S,18R,19E,21R)-21-(acetyloxy)-6,7,18-trihydroxy-16,18-dimethyl-10-phenyl-(11)Cytochalasa-13,19-dien-1-one
• Synonyms: (11)Cytochalasa-13,19-Dien-1-One, 21-(Acetyloxy)-6,7,18-Trihydroxy-16,18-Dimethyl-10-Phenyl-, (6S,7S,13E,16S,18R,19E,21R)-; 1H-Cycloundec(D)Isoindol-1-One, 15-(Acetyloxy)-2,3,3A,4,5,6,6A,9,10,11,12,15-Dodecahydro-5,6,12-Trihydroxy-4,5,10,12- Tetramethyl-3-(Phenylmethyl)-, (3S,3Ar,4S,5S,6S,6Ar,7E,10S,12R,13E,15R,15Ar)-; 1H-Cycloundec(D)Isoindol-1-One, 15-(Acetyloxy)-2,3,3A,4,5,6,6A,9,10,11,12,15-Dodecahydro-5,6,12-Trihydroxy-4,5,10,12-Tetramethyl-3-(Phenylmethyl)-, (3S-(3R*,3As*,4R*,5R*,6R*,6As*,7E,10R*,12S*,13E,15S*,15As*))-
• Molecular Formula: C₃₀H₄₁NO₆
• Molecular Weight: 511.66
• CAS Registry Number: 108050-27-7
• SMILES: C4=C(CC1NC(=O)C23C1C(C(O)(C(O)C2\C=C\CC(CC(O)(/C=C/C3OC(=O)C)C)C)C)C)C=CC=C4
• InChI: 1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+
• InChIKey: AVASIWUXPVFFGK-BBXOWAOSSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 678.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 364.4±31.5°C (Cal.)