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(+/-)-(1R,4bS,8aR,10aR)-4b,8,8,10a-Tetramethyl-7-oxo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl 1H-imidazole-1-thiocarboxylate

View entire compound with spectra: 1 MS (GC)

(+/-)-(1R,4bS,8aR,10aR)-4b,8,8,10a-Tetramethyl-7-oxo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl 1H-imidazole-1-thiocarboxylate
SpectraBase Compound ID 46EGsJkOGY3
InChI InChI=1S/C22H30N2O2S/c1-20(2)15-8-10-22(4)16(21(15,3)11-9-17(20)25)6-5-7-18(22)26-19(27)24-13-12-23-14-24/h6,12-15,18H,5,7-11H2,1-4H3/t15-,18+,21-,22+/m0/s1
InChIKey HOXOPGBXBPJUDX-HOWVWPRWSA-N
Mol Weight 386.55 g/mol
Molecular Formula C22H30N2O2S
Exact Mass 386.202799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cqiLVRrpkr
Name (+/-)-(1R,4bS,8aR,10aR)-4b,8,8,10a-Tetramethyl-7-oxo-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl 1H-imidazole-1-thiocarboxylate
Appearance Crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O2S
InChI InChI=1S/C22H30N2O2S/c1-20(2)15-8-10-22(4)16(21(15,3)11-9-17(20)25)6-5-7-18(22)26-19(27)24-13-12-23-14-24/h6,12-15,18H,5,7-11H2,1-4H3/t15-,18+,21-,22+/m0/s1
InChIKey HOXOPGBXBPJUDX-HOWVWPRWSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 386.554 g/mol
Reported Formula C22H30N2O2S
SMILES C1C(C([C@]2([C@](C1)(C=1[C@@](CC2)([C@@](CCC1)(OC([n]1cncc1)=S)[H])C)C)[H])(C)C)=O
SPLASH splash10-0a4i-0290000000-21bc0005a4c8601d8109
Source of Spectrum AF-54-SM49-52
Wiley ID 1848781