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Substance Name: Dircin
RN: 88497-93-2
InChIKey: LTALCNDICADNAE-MXFOTHHISA-N

Molecular Weight

  • 696.8288
 
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Names and Synonyms

  • Dircin

Registry Numbers

CAS Registry Number

  • 88497-93-2

System Generated Number

  • 0088497932

Structure Descriptors

InChI

1S/C39H52O11/c1-20(2)35-18-22(4)38-28-31(35)48-39(49-35,50-38)26(45-24(6)41)17-13-8-7-10-14-21(3)27-23(5)30(46-33(42)25-15-11-9-12-16-25)37(44,29(27)38)34(43)36(19-40)32(28)47-36/h9,11-12,15-16,21-23,26-32,34,40,43-44H,1,7-8,10,13-14,17-19H2,2-6H3/t21-,22+,23-,26+,27-,28+,29+,30-,31+,32-,34+,35+,36-,37+,38?,39+/m0/s1

InChIKey

LTALCNDICADNAE-MXFOTHHISA-N

Smiles

C[C@H]1CCCCCC[C@H]([C@]23O[C@@H]4[C@@H]5[C@H]6[C@](O6)([C@H]([C@]7([C@@H]([C@@H]1[C@@H]([C@@H]7OC(=O)c8ccccc8)C)[C@@]5(O2)[C@@H](C[C@@]4(O3)C(=C)C)C)O)O)CO)OC(=O)C