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Substance Name: Roseorubicin B
RN: 70559-01-2
InChIKey: ARWQKOSWMQNCLS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C36-H48-N2-O11

Molecular Weight

  • 684.778
 
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Names and Synonyms

Results Name

  • Roseorubicin B

Synonyms

  • BRN 1417572
  • Roseorubicin B

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-ethyl-1,6,8,11-tetrahydroxy-7-((2,3,6-trideoxy-3-(dimethylamino)-4-O-(2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-trans)-

Registry Numbers

CAS Registry Number

  • 70559-01-2

System Generated Number

  • 0070559012

Structure Descriptors

InChI

1S/C36H48N2O11/c1-8-36(45)13-12-19-26(33(44)28-27(31(19)42)32(43)25-18(30(28)41)10-9-11-22(25)39)35(36)49-24-15-21(38(6)7)34(17(3)47-24)48-23-14-20(37(4)5)29(40)16(2)46-23/h9-11,16-17,20-21,23-24,29,34-35,39-40,42,44-45H,8,12-15H2,1-7H3

InChIKey

ARWQKOSWMQNCLS-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H]([C@@H]([C@@H]1N(C)C)O)C)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1N(C)C)O[C@@H]1c2c(c(c3C(=O)c4c(cccc4C(=O)c3c2O)O)O)CC[C@@]1(O)CC)C