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(1R,7R,8aS)-4-(tert-butylamino)-7-(1-(tert-butylamino)-2-hydroxypropan-2-yl)-1,8a-dimethyldecahydronaphthalen-4a-ol
SpectraBase Compound ID 1YIEmZrg9lg
InChI InChI=1S/C23H46N2O2/c1-16-10-11-18(25-20(5,6)7)23(27)13-12-17(14-21(16,23)8)22(9,26)15-24-19(2,3)4/h16-18,24-27H,10-15H2,1-9H3/t16-,17-,18?,21+,22?,23?/m1/s1
InChIKey VYRJSYLCSZROTF-WNMGZAJHSA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H46N2O2
Exact Mass 382.355929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gi18LHRuE7P
Name (1R,7R,8aS)-4-(tert-butylamino)-7-(1-(tert-butylamino)-2-hydroxypropan-2-yl)-1,8a-dimethyldecahydronaphthalen-4a-ol
Classification Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 382.355928727 u
Formula C23H46N2O2
InChI InChI=1S/C23H46N2O2/c1-16-10-11-18(25-20(5,6)7)23(27)13-12-17(14-21(16,23)8)22(9,26)15-24-19(2,3)4/h16-18,24-27H,10-15H2,1-9H3/t16-,17-,18?,21+,22?,23?/m1/s1
InChIKey VYRJSYLCSZROTF-WNMGZAJHSA-N
Molecular Weight 382.633 g/mol
Number of Peaks 35
SMILES N(C1C2(CC[C@@](C(CNC(C)(C)C)(C)O)(C[C@]2([C@@](CC1)(C)[H])C)[H])O)C(C)(C)C
SPLASH splash10-03la-9441000000-c8fc43ce1b7e485a6bbc
Source of Spectrum FF-5-15-15_4 (DOI: 10.1002/ffj.2730050102)
Synonyms (1R,7R,8aS)-4-(tert-butylamino)-7-(1-(tert-butylamino)-2-hydroxypropan-2-yl)-1,8a-dimethyloctahydronaphthalen-4a(2H)-ol
Wiley ID 1801197