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Substance Name: Protorubradirin
RN: 122525-61-5
InChIKey: YOBDUGOCRYXTGC-GZTJUZNOSA-N

Note

  • From Streptomyces achromogenes; contains a C-nitroso-sugar fragment; rubradirin is its photo-oxidation product.

Molecular Weight

  • 982.9004
 
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Names and Synonyms

Name of Substance

  • Protorubradirin

Systematic Name

  • Rubradirin B, 4''-((2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitroso-alpha-D-xylo-hexopyranosyl)oxy)-, (7Z)-

Registry Numbers

CAS Registry Number

  • 122525-61-5

System Generated Number

  • 0122525615

Structure Descriptors

InChI

1S/C48H46N4O19/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)71-48)70-46(63)32-37(57)26(68-27-15-47(5,52-64)43(66-8)20(4)67-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(65-7)13-25(22)69-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11+

InChIKey

YOBDUGOCRYXTGC-GZTJUZNOSA-N

Smiles

Cc1cc2c3c(c1O)C(=O)/C(=C/C(C(C(C(=O)C4(CNC(=C(C3=O)O4)C2=O)C)O)OC(=O)c5c(c(cc(n5)C(=O)Nc6c(c7ccc(cc7oc6=O)OC)O)OC8CC(C(C(O8)C)OC)(C)N=O)O)C)/C