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(S)-2-[(1R,3as,7ar,E)-4-((E)-2-{(3S,5R)-3,5-bis[(Tert-butyldimethylsilyl)oxy]-2-methylenecyclohexylidene}ethylidene)-7amethyloctahydro-1H-inden-1-yl]propyl 4-methylbenzenesulfonate

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

(S)-2-[(1R,3as,7ar,E)-4-((E)-2-{(3S,5R)-3,5-bis[(Tert-butyldimethylsilyl)oxy]-2-methylenecyclohexylidene}ethylidene)-7amethyloctahydro-1H-inden-1-yl]propyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2GkdgBrMZeA
InChI InChI=1S/C41H68O5SSi2/c1-29-17-21-35(22-18-29)47(42,43)44-28-30(2)36-23-24-37-32(16-15-25-41(36,37)10)19-20-33-26-34(45-48(11,12)39(4,5)6)27-38(31(33)3)46-49(13,14)40(7,8)9/h17-22,30,34,36-38H,3,15-16,23-28H2,1-2,4-14H3/b32-19+,33-20+/t30-,34-,36-,37+,38+,41-/m1/s1
InChIKey LRDKADGJXOXSQN-LEGIZFPYSA-N
Mol Weight 729.2 g/mol
Molecular Formula C41H68O5SSi2
Exact Mass 728.4326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGcVikZXlj5
Name (S)-2-[(1R,3as,7ar,E)-4-((E)-2-{(3S,5R)-3,5-bis[(Tert-butyldimethylsilyl)oxy]-2-methylenecyclohexylidene}ethylidene)-7amethyloctahydro-1H-inden-1-yl]propyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 728.432599529 u
Formula C41H68O5SSi2
InChI InChI=1S/C41H68O5SSi2/c1-29-17-21-35(22-18-29)47(42,43)44-28-30(2)36-23-24-37-32(16-15-25-41(36,37)10)19-20-33-26-34(45-48(11,12)39(4,5)6)27-38(31(33)3)46-49(13,14)40(7,8)9/h17-22,30,34,36-38H,3,15-16,23-28H2,1-2,4-14H3/b32-19+,33-20+/t30-,34-,36-,37+,38+,41-/m1/s1
InChIKey LRDKADGJXOXSQN-LEGIZFPYSA-N
Molecular Weight 729.220 g/mol
SMILES C(OS(C1=CC=C(C=C1)C)(=O)=O)[C@]([C@@]1([C@@]2([C@](\C(=C\C=C\3C([C@@](O[Si](C(C)(C)C)(C)C)(C[C@@](C3)(O[Si](C(C)(C)C)(C)C)[H])[H])=C)CCC2)(CC1)[H])C)[H])(C)[H]