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Substance Name: Decalin
RN: 14727-56-1
InChIKey: PXXNTAGJWPJAGM-VCOUNFBDSA-N

Molecular Weight

  • 437.533
 
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Names and Synonyms

Results Name

  • Decalin

Synonym

  • Decalin

Systematic Name

  • 6,9-etheno-14,21-methano-12H,14H,21H-pyrido(2,1-l)(1,9,13)benzodioxaazacyclohexadecin-12-one, 10,11,15,15a,16,17,18,19-octahydro-2,3-dimethoxy-, (14S-(14R*,15aR*,21R*))-

Registry Numbers

CAS Registry Number

  • 14727-56-1

System Generated Number

  • 0014727561

Structure Descriptors

InChI

1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1

InChIKey

PXXNTAGJWPJAGM-VCOUNFBDSA-N

Smiles

C1[C@H]2[N@@](CCCC2)[C@H]2C[C@H]1OC(CCc1ccc(cc1)Oc1c2cc(c(c1)OC)OC)=O