(6beta,12aalpha))-(4S-(4alpha,4aalpha,5aalpha)-2-Acetyl-4-Amino-4a,5a,6,12a-Tetrahydro- 3,6,10,11,12a-Pentahydroxy-6,9-Dimethyl-1,12(4H,5H)-Naphthacenedione
[CAS# 81919-29-1]

Identification

• Name: (6beta,12aalpha))-(4S-(4alpha,4aalpha,5aalpha)-2-Acetyl-4-Amino-4a,5a,6,12a-Tetrahydro- 3,6,10,11,12a-Pentahydroxy-6,9-Dimethyl-1,12(4H,5H)-Naphthacenedione
• Synonyms: (1S,4Ar,11R,11As,12As)-3-Acetyl-1-Amino-4,4A,6,7,11-Pentahydroxy-8,11-Dimethyl-1,11A,12,12A-Tetrahydrotetracene-2,5-Quinone; (1S,4Ar,11R,11As,12As)-1-Amino-3-Ethanoyl-4,4A,6,7,11-Pentahydroxy-8,11-Dimethyl-1,11A,12,12A-Tetrahydrotetracene-2,5-Dione; 1,12(4H,5H)-Naphthacenedione, 2-Acetyl-4-Amino-4A,5A,6,12A-Tetrahydro-3,6,10,11,12A-Pentahydroxy-6,9-Dimethyl-, (4S-(4Alpha,4Aalpha,5Aalpha,6Beta,12Aalpha))-
• Molecular Formula: C₂₂H₂₃NO₈
• Molecular Weight: 429.43
• CAS Registry Number: 81919-29-1
• SMILES: [C@@H]23C[C@@H]1[C@@](O)(C4=C(C(=C1C(=O)[C@]2(O)C(=C(C(=O)[C@H]3N)C(=O)C)O)O)C(=C(C=C4)C)O)C
• InChI: 1S/C22H23NO8/c1-7-4-5-9-13(16(7)25)17(26)14-10(21(9,3)30)6-11-15(23)18(27)12(8(2)24)19(28)22(11,31)20(14)29/h4-5,10-11,15,25-26,28,30-31H,6,23H2,1-3H3/t10-,11-,15-,21-,22+/m0/s1
• InChIKey: VNOIAPLEVDWURG-NYTGWIBTSA-N

Properties

• Density: 1.629g/cm³ (Cal.)
• Boiling point: 715.497°C at 760 mmHg (Cal.)
• Flash point: 386.519°C (Cal.)