Actodigin
[CAS# 36983-69-4]

Identification

• Name: Actodigin
• Synonyms: 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-Hydroxy-10,13-Dimethyl-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-Hydroxy-10,13-Dimethyl-3-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 3-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-Hydroxy-10,13-Dimethyl-3-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 36983-69-4
• SMILES: [C@@H]6(C1=CCOC1=O)[C@]5(C)[C@@]([C@H]4[C@@H]([C@]3(C)[C@@H](C[C@@H](OC2OC(CO)C(O)C(O)C2O)CC3)CC4)CC5)(CC6)O
• InChI: 1S/C29H44O9/c1-27-9-5-16(37-26-24(33)23(32)22(31)21(14-30)38-26)13-15(27)3-4-20-19(27)6-10-28(2)18(7-11-29(20,28)35)17-8-12-36-25(17)34/h8,15-16,18-24,26,30-33,35H,3-7,9-14H2,1-2H3/t15-,16+,18-,19+,20-,21?,22?,23?,24?,26?,27+,28-,29+/m1/s1
• InChIKey: ACLJAFRNPZVVIW-SBCQLKMNSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 735.18°C at 760 mmHg (Cal.)
• Flash point: 239.315°C (Cal.)