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Methyl (1R)-7-(benzyloxy)-tetradecahydro-4b,8,8,10a-tetramethyl-2-oxophenanthrene-1-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (1R)-7-(benzyloxy)-tetradecahydro-4b,8,8,10a-tetramethyl-2-oxophenanthrene-1-carboxylate
SpectraBase Compound ID FcFhCCHtbUb
InChI InChI=1S/C27H38O4/c1-25(2)20-13-15-27(4)21(12-11-19(28)23(27)24(29)30-5)26(20,3)16-14-22(25)31-17-18-9-7-6-8-10-18/h6-10,20-23H,11-17H2,1-5H3/t20-,21+,22-,23+,26-,27+/m0/s1
InChIKey WYZADGYCVIZKKP-ACKKGTSUSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56l97vVem4R
Name Methyl (1R)-7-(benzyloxy)-tetradecahydro-4B,8,8,10A-tetramethyl-2-oxophenanthrene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.277009700 u
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-25(2)20-13-15-27(4)21(12-11-19(28)23(27)24(29)30-5)26(20,3)16-14-22(25)31-17-18-9-7-6-8-10-18/h6-10,20-23H,11-17H2,1-5H3/t20-,21+,22-,23+,26-,27+/m0/s1
InChIKey WYZADGYCVIZKKP-ACKKGTSUSA-N
Molecular Weight 426.597 g/mol
SMILES [C@@]12([C@@](C(=O)OC)(C(=O)CC[C@@]1([C@]1(CC[C@@](C([C@@]1(CC2)[H])(C)C)(OCC=1C=CC=CC1)[H])C)[H])[H])C