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(1R,4aR,4bR,7S,8S,10aR)-Methyl 8-((4-acetylphenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,4aR,4bR,7S,8S,10aR)-Methyl 8-((4-acetylphenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID EmEDDAklHet
InChI InChI=1S/C29H41NO3/c1-7-27(3)18-15-23-22(25(27)30-21-11-9-20(10-12-21)19(2)31)13-14-24-28(23,4)16-8-17-29(24,5)26(32)33-6/h9-13,23-25,30H,7-8,14-18H2,1-6H3/t23-,24+,25+,27-,28+,29+/m0/s1
InChIKey CMSBELKPABUKOC-YAEXFUIESA-N
Mol Weight 451.7 g/mol
Molecular Formula C29H41NO3
Exact Mass 451.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BauPIkV3VSo
Name (1R,4aR,4bR,7S,8S,10aR)-Methyl 8-((4-acetylphenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H41NO3
InChI InChI=1S/C29H41NO3/c1-7-27(3)18-15-23-22(25(27)30-21-11-9-20(10-12-21)19(2)31)13-14-24-28(23,4)16-8-17-29(24,5)26(32)33-6/h9-13,23-25,30H,7-8,14-18H2,1-6H3/t23-,24+,25+,27-,28+,29+/m0/s1
InChIKey CMSBELKPABUKOC-YAEXFUIESA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 451.651 g/mol
SMILES N([C@]1([C@](CC[C@@]2([C@@]3([C@]([C@](CCC3)(C)C(=O)OC)(CC=C12)[H])C)[H])(CC)C)[H])c1ccc(cc1)C(=O)C
SPLASH splash10-0bt9-3981200000-8f22a67dcccdba8f9c59
Source of Spectrum CHO-5-65/SM12-36
Synonyms Methyl (1R,4aR,4bR,7S,8S,10aR)-8-((4-acetylphenyl)amino)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808477