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Substance Name: 11-OH pradimicin T1
RN: 150693-43-9
InChIKey: BFYQOBJTZWZTHU-YJZWZTCPSA-N

Molecular Formula

  • C37-H37-N-O19

Molecular Weight

  • 799.6873
 
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Names and Synonyms

Results Name

  • 11-OH pradimicin T1

Synonym

  • 11-OH pradimicin T1

Systematic Name

  • Glycine, N-((5-((6-deoxy-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,11,14-pentahydroxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 150693-43-9

System Generated Number

  • 0150693439

Structure Descriptors

InChI

1S/C37H37NO19/c1-9-3-15-22(29(49)19(9)35(53)38-7-18(42)43)21-13(6-14-23(30(21)50)26(46)12-4-11(39)5-16(40)20(12)25(14)45)27(47)33(15)56-37-32(52)34(24(44)10(2)55-37)57-36-31(51)28(48)17(41)8-54-36/h3-6,10,17,24,27-28,31-34,36-37,39-41,44,47-52H,7-8H2,1-2H3,(H,38,53)(H,42,43)/t10-,17-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1

InChIKey

BFYQOBJTZWZTHU-YJZWZTCPSA-N

Smiles

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