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Substance Name: 4-Desmethyldecaline
RN: 54422-29-6
InChIKey: BNZQLMXVMRJEMM-UHFFFAOYSA-N

Note

  • Decaline differs from decalin in having a nitrogen at the juncture of the two rings.

Molecular Weight

  • 423.506
 
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Names and Synonyms

Name of Substance

  • 4-Desmethyldecaline

Systematic Name

  • Decaline, O4'-demethyl-, (+-)-

Registry Numbers

CAS Registry Number

  • 54422-29-6

System Generated Number

  • 0054422296

Structure Descriptors

InChI

1S/C25H29NO5/c1-29-24-15-23-20(14-22(24)27)21-13-19(12-17-4-2-3-11-26(17)21)31-25(28)10-7-16-5-8-18(30-23)9-6-16/h5-6,8-9,14-15,17,19,21,27H,2-4,7,10-13H2,1H3

InChIKey

BNZQLMXVMRJEMM-UHFFFAOYSA-N

Smiles

C1CC[C@@H]2C[C@@H]3C[C@@H](c4cc(O)c(cc4Oc4ccc(cc4)CCC(O3)=O)OC)[N@@]2C1