(8S-cis)-8-Acetyl-10-((2-Amino-2-Deoxy-beta-D-Glucopyranosyl)Oxy)-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy -1-Methoxy-5,12-Naphthacenedione Hydrochloride
[CAS# 64397-29-1]

Identification

• Name: (8S-cis)-8-Acetyl-10-((2-Amino-2-Deoxy-beta-D-Glucopyranosyl)Oxy)-7,8,9,10-Tetrahydro-6,8,11-Trihydroxy -1-Methoxy-5,12-Naphthacenedione Hydrochloride
• Synonyms: (7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Dione Hydrochloride; (7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6,9,11-Trihydroxy-4-Methoxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone Hydrochloride
• Molecular Formula: C₂₇H₃₀ClNO₁₂
• Molecular Weight: 595.99
• CAS Registry Number: 64397-29-1
• SMILES: [C@H]2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CO)C[C@@](O)(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C.[H+].[Cl-]
• InChI: 1S/C27H29NO12.ClH/c1-9(30)27(37)6-11-16(13(7-27)39-26-19(28)25(36)22(33)14(8-29)40-26)24(35)18-17(21(11)32)20(31)10-4-3-5-12(38-2)15(10)23(18)34;/h3-5,13-14,19,22,25-26,29,32-33,35-37H,6-8,28H2,1-2H3;1H/t13-,14+,19+,22+,25+,26+,27-;/m0./s1
• InChIKey: RVKXCQXUICPIDB-VGSAUYMBSA-N

Properties

• Boiling point: 846.2°C at 760 mmHg (Cal.)
• Flash point: 465.6°C (Cal.)