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Substance Name: Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt
RN: 102416-29-5
InChIKey: AKEMIRQFANFFKU-NCYRAAIKSA-N

Molecular Formula

  • C46-H56-O8

Molecular Weight

  • 736.94
 
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Names and Synonyms

Name of Substance

  • Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt

Synonyms

  • ODDD
  • Olean-11,13(18)-diene-3,30-diol-3,30-di-2-hemiphthalate

Systematic Name

  • Oleana-11,13(18)-diene-3,20-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-

Registry Numbers

CAS Registry Number

  • 102416-29-5

System Generated Number

  • 0102416295

Structure Descriptors

InChI

1S/C46H56O8/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/h8-17,34-36H,18-27H2,1-7H3,(H,47,48)(H,49,50)/t34-,35+,36-,42-,43+,44-,45+,46+/m0/s1

InChIKey

AKEMIRQFANFFKU-NCYRAAIKSA-N

Smiles

C(O)(=O)c1c(cccc1)C(OC[C@@]1(C)CC[C@]2(C)CC[C@@]3([C@@]4(CC[C@H]5C([C@H](CC[C@@]5([C@H]4C=CC3=C2C1)C)OC(c1ccccc1C(O)=O)=O)(C)C)C)C)=O