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1-Phenanthrenecarboxylic acid, 3-(acetyloxy)tetradecahydro-4b,8,8,10a-tetramethyl-2-methylene-, methyl ester, (1.alpha.,3.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-(.+-.)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Phenanthrenecarboxylic acid, 3-(acetyloxy)tetradecahydro-4b,8,8,10a-tetramethyl-2-methylene-, methyl ester, (1.alpha.,3.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)-(.+-.)-
SpectraBase Compound ID Ku3TVXRjg3
InChI InChI=1S/C23H36O4/c1-14-16(27-15(2)24)13-18-22(5)11-8-10-21(3,4)17(22)9-12-23(18,6)19(14)20(25)26-7/h16-19H,1,8-13H2,2-7H3/t16-,17-,18+,19-,22-,23+/m0/s1
InChIKey ABGNEPRTSMIEJQ-VBXABHHASA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ltAqmCG7Df
Name 1-Phenanthrenecarboxylic acid, 3-(acetyloxy)tetradecahydro-4B,8,8,10A-tetramethyl-2-methylene-, methyl ester, (1.alpha.,3.beta.,4A.beta.,4B.alpha.,8A.beta.,10A.alpha.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-14-16(27-15(2)24)13-18-22(5)11-8-10-21(3,4)17(22)9-12-23(18,6)19(14)20(25)26-7/h16-19H,1,8-13H2,2-7H3/t16-,17-,18+,19-,22-,23+/m0/s1
InChIKey ABGNEPRTSMIEJQ-VBXABHHASA-N
Molecular Weight 376.537 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@](C([C@]1(C(=O)OC)[H])=C)(OC(=O)C)[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982871