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(2S,4aR,4bR,8aR,10aR)-8-(2,5-Dimethoxy-3-methyl-benzyl)-2-(2-methoxy-ethoxymethoxy)-1,1,4a,7,8a-pentamethyl-1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-phenanthrene

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

(2S,4aR,4bR,8aR,10aR)-8-(2,5-Dimethoxy-3-methyl-benzyl)-2-(2-methoxy-ethoxymethoxy)-1,1,4a,7,8a-pentamethyl-1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-phenanthrene
SpectraBase Compound ID 6ql5j8KbKDI
InChI InChI=1S/C33H52O5/c1-22-10-11-28-32(5,26(22)20-24-19-25(35-8)18-23(2)30(24)36-9)14-12-27-31(3,4)29(13-15-33(27,28)6)38-21-37-17-16-34-7/h18-19,27-29H,10-17,20-21H2,1-9H3/t27-,28-,29-,32-,33-/m0/s1
InChIKey OQFLQGULASPPLG-HQRMYQIWSA-N
Mol Weight 528.8 g/mol
Molecular Formula C33H52O5
Exact Mass 528.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID n1GVK93ylX
Name (2S,4ar,4br,8ar,10Ar)-8-(2,5-dimethoxy-3-methyl-benzyl)-2-(2-methoxy-ethoxymethoxy)-1,1,4A,7,8A-pentamethyl-1,2,3,4,4A,4B,5,6,8A,9,10,10A-dodecahydro-phenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.381474769 u
Formula C33H52O5
InChI InChI=1S/C33H52O5/c1-22-10-11-28-32(5,26(22)20-24-19-25(35-8)18-23(2)30(24)36-9)14-12-27-31(3,4)29(13-15-33(27,28)6)38-21-37-17-16-34-7/h18-19,27-29H,10-17,20-21H2,1-9H3/t27-,28-,29-,32-,33-/m0/s1
InChIKey OQFLQGULASPPLG-HQRMYQIWSA-N
Molecular Weight 528.774 g/mol
SMILES [C@]12(C(CC=3C(=C(C)C=C(C3)OC)OC)=C(C)CC[C@@]2([C@]2(CC[C@@](C([C@@]2(CC1)[H])(C)C)(OCOCCOC)[H])C)[H])C