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(3ar,5R,5ar,8as)-7,7-Dimethyl-5-{[(1R,2S,3R,4S)-1,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl]oxy}decahydrocyclopenta[C]pentalen-4-ol

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

(3ar,5R,5ar,8as)-7,7-Dimethyl-5-{[(1R,2S,3R,4S)-1,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl]oxy}decahydrocyclopenta[C]pentalen-4-ol
SpectraBase Compound ID HLHmDtwW6wv
InChI InChI=1S/C28H48O3/c1-24(2,3)16-30-22-18-11-13-27(8,26(18,6)7)23(22)31-21-19-14-25(4,5)15-28(19)12-9-10-17(28)20(21)29/h17-23,29H,9-16H2,1-8H3/t17-,18+,19-,20?,21+,22+,23+,27-,28-/m0/s1
InChIKey ZGMUQVBTECIYLM-SDEQVUBESA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 81SkEu73jW9
Name (3ar,5R,5ar,8as)-7,7-Dimethyl-5-{[(1R,2S,3R,4S)-1,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl]oxy}decahydrocyclopenta[C]pentalen-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.360345403 u
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-24(2,3)16-30-22-18-11-13-27(8,26(18,6)7)23(22)31-21-19-14-25(4,5)15-28(19)12-9-10-17(28)20(21)29/h17-23,29H,9-16H2,1-8H3/t17-,18+,19-,20?,21+,22+,23+,27-,28-/m0/s1
InChIKey ZGMUQVBTECIYLM-SDEQVUBESA-N
Molecular Weight 432.689 g/mol
SMILES [C@]123[C@]([C@@](O[C@]4([C@]5(C(C)(C)[C@@]([C@]4(OCC(C)(C)C)[H])(CC5)[H])C)[H])(C([C@@]2(CCC3)[H])O)[H])(CC(C1)(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958692