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Substance Name: Sch 47555
RN: 150050-21-8
InChIKey: MCDSLJCOWVFKEL-YBKKMURLSA-N

Molecular Formula

  • C37-H42-O13

Molecular Weight

  • 694.726
 
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Names and Synonyms

Name of Substance

  • Sch 47555

Synonym

  • Sch-47555

Systematic Name

  • Benz(a)anthracene-1,7,12(2H)-trione, 3-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-9-(tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-, (2S-(2alpha(2S*(3S*(2R*,6R*),4aS*,12bR*),5R*,6S*),5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 150050-21-8

System Generated Number

  • 0150050218

Structure Descriptors

InChI

1S/C37H42O13/c1-17-23(38)7-11-28(47-17)49-25-9-10-26(46-19(25)3)20-5-6-21-30(32(20)41)33(42)22-13-14-36(44)16-35(4,50-29-12-8-24(39)18(2)48-29)15-27(40)37(36,45)31(22)34(21)43/h5-6,8,12-14,17-19,23,25-26,28-29,38,41,44-45H,7,9-11,15-16H2,1-4H3/t17?,18?,19?,23?,25?,26?,28?,29?,35-,36-,37-/m0/s1

InChIKey

MCDSLJCOWVFKEL-YBKKMURLSA-N

Smiles

C12=C(C(=O)c3c(C2=O)ccc(c3O)[C@@H]2O[C@@H](C)[C@@H](CC2)O[C@@H]2O[C@@H](C)[C@@H](CC2)O)C=C[C@]2([C@@]1(C(C[C@@](O[C@@H]1O[C@@H](C)C(C=C1)=O)(C)C2)=O)O)O