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Substance Name: 5'-Guanylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-
RN: 133645-10-0
InChIKey: QTLGKGTYSHMEFZ-MDZZDMCGSA-N

Molecular Formula

  • C30-H32-N5-O10-P

Molecular Weight

  • 653.582
 
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Names and Synonyms

  • 5'-Guanylic acid, 2'-deoxy-N-(1,2,3,4-tetrahydro-2,3,4-trihydroxy-7,12- dimethylbenz(a)anthracen-1-yl)-, (1S-(1alpha,2beta,3beta,4alpha))-

Registry Numbers

CAS Registry Number

  • 133645-10-0

System Generated Number

  • 0133645100

Structure Descriptors

InChI

1S/C30H32N5O10P/c1-12-14-5-3-4-6-15(14)13(2)21-16(12)7-8-17-22(21)23(26(38)27(39)25(17)37)32-30-33-28-24(29(40)34-30)31-11-35(28)20-9-18(36)19(45-20)10-44-46(41,42)43/h3-8,11,18-20,23,25-27,36-39H,9-10H2,1-2H3,(H2,41,42,43)(H2,32,33,34,40)/t18?,19?,20?,23-,25+,26+,27-/m0/s1

InChIKey

QTLGKGTYSHMEFZ-MDZZDMCGSA-N

Smiles

c12c(n([C@@H]3C[C@@H](O)[C@@H](COP(=O)(O)O)O3)cn1)[nH]c(N[C@H]1c3c([C@H]([C@@H]([C@@H]1O)O)O)ccc1c(c4c(c(c31)C)cccc4)C)nc2=O