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Substance Name: RD 4-2138
RN: 76663-53-1
InChIKey: HAZRIGCVIAWJTI-YKEFVAIKSA-N

Molecular Formula

  • C38-H60-O8

Molecular Weight

  • 644.884
 
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Names and Synonyms

Results Name

  • RD 4-2138

Synonyms

  • 13-Hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate
  • RD 4-2138
  • RD4-2138

Systematic Name

  • 4-(2,3-dimethylbutanoyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo(7.5.1.0(1,5).0(10,12))pentadeca-2,7-dien-12-yl dodecanoate

Registry Numbers

CAS Registry Number

  • 76663-53-1

System Generated Number

  • 0076663531

Structure Descriptors

InChI

1S/C38H60O8/c1-9-10-11-12-13-14-15-16-17-18-29(40)46-37-21-25(5)36-20-24(4)33(45-34(43)26(6)23(2)3)38(36,44)31(41)27(22-39)19-28(32(36)42)30(37)35(37,7)8/h19-20,23,25-26,28,30-31,33,39,41,44H,9-18,21-22H2,1-8H3/t25-,26?,28+,30-,31-,33+,36+,37+,38+/m1/s1

InChIKey

HAZRIGCVIAWJTI-YKEFVAIKSA-N

Smiles

CCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@]34C=C([C@@H]([C@]3([C@@H](C(=C[C@@H]([C@@H]1C2(C)C)C4=O)CO)O)O)OC(=O)C(C)C(C)C)C)C