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(1R,4aS,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
SpectraBase Compound ID ARqoUotzs13
InChI InChI=1S/C19H28O2/c1-17(2,20)14-7-8-15-13(12-14)6-9-16-18(15,3)10-5-11-19(16,4)21/h7-8,12,16,20-21H,5-6,9-11H2,1-4H3/t16-,18-,19-/m1/s1
InChIKey NYEXXEJYGVAGEE-BHIYHBOVSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ENUzDAVwHZ
Name (1R,4aS,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-17(2,20)14-7-8-15-13(12-14)6-9-16-18(15,3)10-5-11-19(16,4)21/h7-8,12,16,20-21H,5-6,9-11H2,1-4H3/t16-,18-,19-/m1/s1
InChIKey NYEXXEJYGVAGEE-BHIYHBOVSA-N
Molecular Weight 288.431 g/mol
SMILES OC(c1cc2c([C@@]3([C@]([C@@](CCC3)(O)C)(CC2)[H])C)cc1)(C)C
SPLASH splash10-05fr-1190000000-659908c49bd82e63c616
Source of Spectrum G4-61-407-1
Synonyms (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-ol (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
Wiley ID 1607132