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Details

Stereochemistry EPIMERIC
Molecular Formula C27H31NO10
Molecular Weight 529.5357
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-6,8,11-TRIHYDROXY-8-((1RS)-1-HYDROXYETHYL)-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE

SMILES

COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)C(C)O)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=HJEZFVLKJYFNQW-FKKRWUELSA-N
InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11?,14-,16-,17-,22+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31NO10
Molecular Weight 529.5357
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V73O8640X8
Record Status Validated (UNII)
Record Version