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(1R,4aR,4bR,7S,9R,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-(phenyl-sulfonamido)-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-(phenyl-sulfonamido)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 6A2aEV32xJa
InChI InChI=1S/C27H39NO4S/c1-6-25(2)16-13-21-20(18-25)22(28-33(30,31)19-11-8-7-9-12-19)17-23-26(21,3)14-10-15-27(23,4)24(29)32-5/h7-9,11-12,18,21-23,28H,6,10,13-17H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey NLCHWSSWDUIVSE-ZHSJGXMJSA-N
Mol Weight 473.7 g/mol
Molecular Formula C27H39NO4S
Exact Mass 473.25998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeInW2v5cOP
Name (1R,4aR,4bR,7S,9R,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-9-(phenyl-sulfonamido)-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 C27H39NO4S
InChI InChI=1S/C27H39NO4S/c1-6-25(2)16-13-21-20(18-25)22(28-33(30,31)19-11-8-7-9-12-19)17-23-26(21,3)14-10-15-27(23,4)24(29)32-5/h7-9,11-12,18,21-23,28H,6,10,13-17H2,1-5H3/t21-,22+,23+,25-,26+,27+/m0/s1
InChIKey NLCHWSSWDUIVSE-ZHSJGXMJSA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 473.672 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])S(c1ccccc1)(=O)=O
SPLASH splash10-00n0-9682000000-355e5b7893cd373eadc5
Source of Spectrum CHO-5-65/SM13-42
Synonyms Methyl (1R,4aR,4bR,7S,9R,10aR)-7-ethyl-1,4a,7-trimethyl-9-(phenylsulfonamido)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Wiley ID 1808480