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7-Ethenyl-9-hydroxy-1,4A,7-trimethyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid, 2tms
SpectraBase Compound ID 2Dm2igftp7W
InChI InChI=1S/C26H46O3Si2/c1-11-24(2)16-13-20-19(18-24)21(28-30(5,6)7)17-22-25(20,3)14-12-15-26(22,4)23(27)29-31(8,9)10/h11,18,20-22H,1,12-17H2,2-10H3
InChIKey YYKUCZMFMFCZRY-UHFFFAOYSA-N
Mol Weight 462.8 g/mol
Molecular Formula C26H46O3Si2
Exact Mass 462.298548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDxH0mHCQSu
Name 7-Ethenyl-9-hydroxy-1,4A,7-trimethyl-3,4,4B,5,6,9,10,10A-octahydro-2H-phenanthrene-1-carboxylic acid, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.298548408 u
Formula C26H46O3Si2
InChI InChI=1S/C26H46O3Si2/c1-11-24(2)16-13-20-19(18-24)21(28-30(5,6)7)17-22-25(20,3)14-12-15-26(22,4)23(27)29-31(8,9)10/h11,18,20-22H,1,12-17H2,2-10H3
InChIKey YYKUCZMFMFCZRY-UHFFFAOYSA-N
Molecular Weight 462.821 g/mol
SMILES C[Si](C)(C)OC(C1(C)C2C(C)(CCC1)C1C(C(O[Si](C)(C)C)C2)=CC(C=C)(C)CC1)=O