(1S,3S)-1-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-(1-hydroxyethyl)-10-methoxy-3,6-bis(oxidanyl)-2,4-dihydro-1H-tetracene-5,12-dione

Systemtic Name: (1S,3S)-1-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-(1-hydroxyethyl)-10-methoxy-3,6-bis(oxidanyl)-2,4-dihydro-1H-tetracene-5,12-dione Openeye Name: (1S,3S)-1-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione CAS Name: (1S,3S)-1-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione IUPAC Name: (1S,3S)-1-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione Traditional Name: (1S,3S)-1-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,6-dihydroxy-3-(1-hydroxyethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-quinone Formula: C27H31NO9 MolecularWeight: 513.53634

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C3=O)C(=C5C=CC=C(C5=C4)OC)O)(C(C)O)O)N)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=O)C4=C(C3=O)C(=C5C=CC=C(C5=C4)OC)O)(C(C)O)O)N)O

InChI

InChI=1S/C27H31NO9/c1-11-23(30)17(28)8-20(36-11)37-19-10-27(34,12(2)29)9-16-21(19)25(32)15-7-14-13(5-4-6-18(14)35-3)24(31)22(15)26(16)33/h4-7,11-12,17,19-20,23,29-31,34H,8-10,28H2,1-3H3/t11-,12?,17-,19-,20-,23+,27-/m0/s1