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Substance Name: 14-O-Palmitoylhydroxyrubicin
RN: 124622-11-3
InChIKey: RDEDPSBLVWCEFU-NWTUHTNFSA-N

Molecular Formula

  • C43-H58-O13

Molecular Weight

  • 782.9182
 
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Names and Synonyms

Name of Substance

  • 14-O-Palmitoylhydroxyrubicin

Systematic Name

  • Hexadecanoic acid, 2-(4-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 124622-11-3

System Generated Number

  • 0124622113

Structure Descriptors

InChI

1S/C43H58O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(46)54-24-31(45)43(52)22-27-35(30(23-43)56-33-21-28(44)38(47)25(2)55-33)42(51)37-36(40(27)49)39(48)26-18-17-19-29(53-3)34(26)41(37)50/h17-19,25,28,30,33,38,44,47,49,51-52H,4-16,20-24H2,1-3H3/t25-,28-,30-,33+,38+,43-/m0/s1

InChIKey

RDEDPSBLVWCEFU-NWTUHTNFSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)O