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Substance Name: D-Proline, 1-((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-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 148677-05-8
InChIKey: RKLLFWLNJXSFAD-FXGGBIMSSA-N

Molecular Formula

  • C42-H46-N2-O18

Molecular Weight

  • 866.8214
 
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Names and Synonyms

  • D-Proline, 1-((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-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148677-05-8

System Generated Number

  • 0148677058

Structure Descriptors

InChI

1S/C42H46N2O18/c1-13-8-19-26(33(51)23(13)39(55)44-7-5-6-20(44)40(56)57)25-17(11-18-27(34(25)52)30(48)16-9-15(58-4)10-21(45)24(16)29(18)47)31(49)37(19)61-42-36(54)38(28(43-3)14(2)60-42)62-41-35(53)32(50)22(46)12-59-41/h8-11,14,20,22,28,31-32,35-38,41-43,45-46,49-54H,5-7,12H2,1-4H3,(H,56,57)/t14-,20-,22-,28+,31+,32+,35-,36-,37+,38+,41+,42+/m1/s1

InChIKey

RKLLFWLNJXSFAD-FXGGBIMSSA-N

Smiles

Cc1cc2c(c(c1C(=O)N3CCC[C@@H]3C(=O)O)O)-c4c(cc5c(c4O)C(=O)c6cc(cc(c6C5=O)O)OC)[C@@H]([C@H]2O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)NC)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O