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Substance Name: Benzo(a)naphthacene-2-carboxylic acid, 5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-, (5S-trans)-
RN: 148677-13-8
InChIKey: DPFFHHPZJKXFCU-KTAYBSJASA-N

Molecular Formula

  • C37-H39-N-O17

Molecular Weight

  • 769.7051
 
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Names and Synonyms

  • Benzo(a)naphthacene-2-carboxylic acid, 5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148677-13-8

System Generated Number

  • 0148677138

Structure Descriptors

InChI

1S/C37H39NO17/c1-10-5-16-22(29(45)19(10)35(49)50)21-14(8-15-23(30(21)46)26(42)13-6-12(51-4)7-17(39)20(13)25(15)41)27(43)33(16)54-37-32(48)34(24(38-3)11(2)53-37)55-36-31(47)28(44)18(40)9-52-36/h5-8,11,18,24,27-28,31-34,36-40,43-48H,9H2,1-4H3,(H,49,50)/t11-,18-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1

InChIKey

DPFFHHPZJKXFCU-KTAYBSJASA-N

Smiles

Cc1cc2c(c(c1C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)NC)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O