(7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-5-methoxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride

Systemtic Name: (7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-5-methoxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Openeye Name: (7S,9S)-9-acetyl-7-[(2R,4S,5R,6S)-4-amino-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride CAS Name: (7S,9S)-9-acetyl-7-[[(2R,4S,5R,6S)-4-amino-5-methoxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5R,6S)-4-amino-5-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride Traditional Name: (7S,9S)-9-acetyl-7-[(2R,4S,5R,6S)-4-amino-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone hydrochloride Formula: C28H32ClNO10 MolecularWeight: 578.00738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)OC.Cl

Isomeric SMILES

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)OC.Cl

InChI

InChI=1S/C28H31NO10.ClH/c1-11-27(37-4)15(29)8-18(38-11)39-17-10-28(35,12(2)30)9-14-20(17)26(34)22-21(24(14)32)23(31)13-6-5-7-16(36-3)19(13)25(22)33;/h5-7,11,15,17-18,27,32,34-35H,8-10,29H2,1-4H3;1H/t11-,15-,17-,18-,27-,28-;/m0./s1