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Substance Name: Methanesulfonic 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-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-, (5S-trans)-
RN: 148677-08-1
InChIKey: QYUXRNXLAYLFCR-KIPZKQHLSA-N

Molecular Formula

  • C38-H42-N2-O19-S

Molecular Weight

  • 862.8108
 
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Names and Synonyms

  • Methanesulfonic 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-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148677-08-1

System Generated Number

  • 0148677081

Structure Descriptors

InChI

1S/C38H42N2O19S/c1-11-5-17-23(30(47)20(11)36(51)40-10-60(52,53)54)22-15(8-16-24(31(22)48)27(44)14-6-13(55-4)7-18(41)21(14)26(16)43)28(45)34(17)58-38-33(50)35(25(39-3)12(2)57-38)59-37-32(49)29(46)19(42)9-56-37/h5-8,12,19,25,28-29,32-35,37-39,41-42,45-50H,9-10H2,1-4H3,(H,40,51)(H,52,53,54)/t12-,19-,25+,28+,29+,32-,33-,34+,35+,37+,38+/m1/s1

InChIKey

QYUXRNXLAYLFCR-KIPZKQHLSA-N

Smiles

Cc1cc2c(c(c1C(=O)NCS(=O)(=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