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(1R,4aR,4bR,7S,9R,10aR)-Methyl 9-((tert-butoxycarbonyl)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-((tert-butoxycarbonyl)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 FkfS9Galeox
InChI InChI=1S/C26H43NO4/c1-9-24(5)14-11-18-17(16-24)19(27-22(29)31-23(2,3)4)15-20-25(18,6)12-10-13-26(20,7)21(28)30-8/h16,18-20H,9-15H2,1-8H3,(H,27,29)/t18-,19+,20+,24-,25+,26+/m0/s1
InChIKey VFPOMIOPBXZJHO-CWRABNTLSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U1HrIOuBs3
Name (1R,4aR,4bR,7S,9R,10aR)-Methyl 9-((tert-butoxycarbonyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-9-24(5)14-11-18-17(16-24)19(27-22(29)31-23(2,3)4)15-20-25(18,6)12-10-13-26(20,7)21(28)30-8/h16,18-20H,9-15H2,1-8H3,(H,27,29)/t18-,19+,20+,24-,25+,26+/m0/s1
InChIKey VFPOMIOPBXZJHO-CWRABNTLSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 433.633 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])C(OC(C)(C)C)=O
SPLASH splash10-000i-3096000000-3ad74fa0865e9ebe46fd
Source of Spectrum CHO-5-65/SM13-44
Synonyms Methyl (1R,4aR,4bR,7S,9R,10aR)-9-((tert-butoxycarbonyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808481