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(2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(1-methoxy-1-methyl-ethoxy)pent-3-yn-2-ol

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(2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-(1-methoxy-1-methyl-ethoxy)pent-3-yn-2-ol
SpectraBase Compound ID KhL6JMeJ6hq
InChI InChI=1S/C34H58O4Si/c1-30(2,3)39(10,11)38-25-17-20-32(6)24(23-25)13-14-26-27-15-16-29(33(27,7)21-18-28(26)32)34(8,35)19-12-22-37-31(4,5)36-9/h13,25-29,35H,14-18,20-23H2,1-11H3/t25-,26-,27-,28-,29-,32-,33-,34-/m0/s1
InChIKey SZAWRBSRDOGZCX-ZXRBHRSYSA-N
Mol Weight 558.9 g/mol
Molecular Formula C34H58O4Si
Exact Mass 558.410437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQ2nNFz3wv
Name (2R)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[Tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-yl]-5-(1-methoxy-1-methyl-ethoxy)pent-3-yn-2-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.410436879 u
Formula C34H58O4Si
InChI InChI=1S/C34H58O4Si/c1-30(2,3)39(10,11)38-25-17-20-32(6)24(23-25)13-14-26-27-15-16-29(33(27,7)21-18-28(26)32)34(8,35)19-12-22-37-31(4,5)36-9/h13,25-29,35H,14-18,20-23H2,1-11H3/t25-,26-,27-,28-,29-,32-,33-,34-/m0/s1
InChIKey SZAWRBSRDOGZCX-ZXRBHRSYSA-N
Molecular Weight 558.919 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C4)[H])C)[H])(CC[C@@]1([C@](C#CCOC(OC)(C)C)(O)C)[H])[H])C