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(1R,4aR,4bR,7S,9R,10aR)-Methyl 9-amino-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,4aR,4bR,7S,9R,10aR)-Methyl 9-amino-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 5FV6nI4thnU
InChI InChI=1S/C21H35NO2/c1-6-19(2)11-8-15-14(13-19)16(22)12-17-20(15,3)9-7-10-21(17,4)18(23)24-5/h13,15-17H,6-12,22H2,1-5H3/t15-,16+,17+,19-,20+,21+/m0/s1
InChIKey NHRYXPFBLVQAHB-VLWQACTDSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5o4VFnAz1Pb
Name (1R,4aR,4bR,7S,9R,10aR)-Methyl 9-amino-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
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Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-6-19(2)11-8-15-14(13-19)16(22)12-17-20(15,3)9-7-10-21(17,4)18(23)24-5/h13,15-17H,6-12,22H2,1-5H3/t15-,16+,17+,19-,20+,21+/m0/s1
InChIKey NHRYXPFBLVQAHB-VLWQACTDSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 333.516 g/mol
SMILES N[C@]1(C2=C[C@](CC[C@@]2([C@]2(CCC[C@@]([C@@]2(C1)[H])(C)C(=O)OC)C)[H])(CC)C)[H]
SPLASH splash10-000i-2930000000-e399ed75ac5dd065ee4a
Source of Spectrum CHO-5-65/SM14-45
Synonyms Methyl (1R,4aR,4bR,7S,9R,10aR)-9-amino-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808482