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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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6QIYVAhZ9S
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
Alternate Name(s) (1S,5R,7R,8R)-7-[(1R,2S,3R,4S)-3-(2,2-Dimethylpropoxy)-1,7,7-trimethylbicyclo[2.2.1]-hept-2-yl-oxy]-10-10-dimethyltricyclo[6.3.0.0(1,5)]undecan-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC1[C@]2([C@]3([C@]([C@]1(O[C@]1([C@]4(C(C)(C)[C@@]([C@]1(OCC(C)(C)C)[H])(CC4)[H])C)[H])[H])(CC(C3)(C)C)[H])CCC2)[H]
SPLASH splash10-006x-0059300000-8b7b8c995921c9553917
Source of Spectrum J-62-4855-7
Wiley ID 1382516