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(17E)-(13alphaH)-malabarica-14(27),17,21-triene
SpectraBase Compound ID LIhI1lGl4jO
InChI InChI=1S/C30H50/c1-22(2)12-9-13-23(3)14-10-15-24(4)25-16-17-27-29(25,7)21-18-26-28(5,6)19-11-20-30(26,27)8/h12,14,25-27H,4,9-11,13,15-21H2,1-3,5-8H3/b23-14+/t25-,26-,27-,29-,30-/m0/s1
InChIKey HKMNNTWBKGKUAB-WCXNYYKJSA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zzbs4WdVhh
Name (17E)-(13alphaH)-malabarica-14(27),17,21-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-22(2)12-9-13-23(3)14-10-15-24(4)25-16-17-27-29(25,7)21-18-26-28(5,6)19-11-20-30(26,27)8/h12,14,25-27H,4,9-11,13,15-21H2,1-3,5-8H3/b23-14+/t25-,26-,27-,29-,30-/m0/s1
InChIKey HKMNNTWBKGKUAB-WCXNYYKJSA-N
Literature Reference DOI 10.1002/cbic.201800281
Molecular Weight 410.730 g/mol
SMILES C1C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]3(C(CC\C=C\(CCC=C(C)C)C)=C)[H])[H])C)(C(C1)(C)C)[H])C
SPLASH splash10-05o3-8920100000-bcb409d1063e6d2fac43
Source of Spectrum CBC-19-SM22-20
Synonyms (3S,3aS,5aS,9aS,9bS)-3-((E)-6,10-dimethylundeca-1,5,9-trien-2-yl)-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalene
Wiley ID 1814172