For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,4aR,4bR,7S,9R,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-((3-nitrophe-nyl)amino)-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 7-ethyl-1,4a,7-trimethyl-9-((3-nitrophe-nyl)amino)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID JbqnUcyLF49
InChI InChI=1S/C27H38N2O4/c1-6-25(2)14-11-21-20(17-25)22(28-18-9-7-10-19(15-18)29(31)32)16-23-26(21,3)12-8-13-27(23,4)24(30)33-5/h7,9-10,15,17,21-23,28H,6,8,11-14,16H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey BHABKFUMFDJPMA-ZHSJGXMJSA-N
Mol Weight 454.6 g/mol
Molecular Formula C27H38N2O4
Exact Mass 454.283158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID j7z5AUxj25
Name (1R,4aR,4bR,7S,9R,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-((3-nitrophe-nyl)amino)-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 C27H38N2O4
InChI InChI=1S/C27H38N2O4/c1-6-25(2)14-11-21-20(17-25)22(28-18-9-7-10-19(15-18)29(31)32)16-23-26(21,3)12-8-13-27(23,4)24(30)33-5/h7,9-10,15,17,21-23,28H,6,8,11-14,16H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey BHABKFUMFDJPMA-ZHSJGXMJSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 454.611 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])c1cc(ccc1)[N+]([O-])=O
SPLASH splash10-0a4l-9131000000-c9412b206c0a40a0a9d6
Source of Spectrum CHO-5-65/SM6-12
Synonyms Methyl (1R,4aR,4bR,7S,9R,10aR)-7-ethyl-1,4a,7-trimethyl-9-((3-nitrophenyl)amino)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808461