(7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride
[CAS# 141434-67-5]

Identification

• Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyloxan-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride
• Synonyms: (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-7-[[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-7-[(2R,4S,5S,6S)-4-Amino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-9-[(1S)-1,2-Dihydroxyethyl]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₇H₃₂ClNO₁₁
• Molecular Weight: 582.00
• CAS Registry Number: 141434-67-5
• SMILES: [C@]2(O)(C[C@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](N)C1)C)C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)[C@@H](O)CO.[H+].[Cl-]
• InChI: 1S/C27H31NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,16-,17-,22+,27-;/m0./s1
• InChIKey: ORLHIGGRLIJIIM-PNOIAXSSSA-N

Properties

• Boiling point: 828.7°C at 760 mmHg (Cal.)
• Flash point: 455°C (Cal.)