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Substance Name: Deoxoglycyrrhetol dihemiphthalate
RN: 102416-27-3
InChIKey: GFCQDXRBTQVNJC-OTGCZYGJSA-N

Molecular Formula

  • C46-H58-O8

Molecular Weight

  • 738.956
 
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Names and Synonyms

Name of Substance

  • Deoxoglycyrrhetol dihemiphthalate

Synonyms

  • 18-Olean-12-ene-3,30-diol dihemiphthalate
  • DGDH

Systematic Name

  • Olean-12-ene-3,29-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-

Registry Numbers

CAS Registry Number

  • 102416-27-3

System Generated Number

  • 0102416273

Structure Descriptors

InChI

1S/C46H58O8/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)54-40(52)31-15-11-9-13-29(31)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-53-39(51)30-14-10-8-12-28(30)37(47)48/h8-16,33-36H,17-27H2,1-7H3,(H,47,48)(H,49,50)/t33-,34-,35+,36?,42-,43+,44-,45+,46+/m0/s1

InChIKey

GFCQDXRBTQVNJC-OTGCZYGJSA-N

Smiles

c1cccc(C(O[C@@H]2C([C@H]3[C@@](CC2)(C)[C@@H]2[C@@](C)(CC3)[C@@]3(CC[C@@]4([C@H](C3=CC2)C[C@@](CC4)(COC(c2c(cccc2)C(=O)O)=O)C)C)C)(C)C)=O)c1C(O)=O