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Substance Name: D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-6,9,14-trihydroxy-1,11-dimethoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 153619-26-2
InChIKey: WTCMQVLPIMHJMX-WZQKXEEESA-N

Molecular Formula

  • C41-H46-N2-O18

Molecular Weight

  • 854.8104
 
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Names and Synonyms

  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-6,9,14-trihydroxy-1,11-dimethoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 153619-26-2

System Generated Number

  • 0153619262

Structure Descriptors

InChI

1S/C41H46N2O18/c1-12-7-19-25(36(57-6)22(12)38(53)43-13(2)39(54)55)24-17(10-18-26(32(24)50)29(47)16-8-15(56-5)9-20(44)23(16)28(18)46)30(48)35(19)60-41-34(52)37(27(42-4)14(3)59-41)61-40-33(51)31(49)21(45)11-58-40/h7-10,13-14,21,27,30-31,33-35,37,40-42,44-45,48-52H,11H2,1-6H3,(H,43,53)(H,54,55)/t13-,14-,21-,27+,30+,31+,33-,34-,35+,37+,40+,41+/m1/s1

InChIKey

WTCMQVLPIMHJMX-WZQKXEEESA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@H](C)C(=O)O)OC)-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