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3.beta.,5.alpha.-Stigmastan-3ol, flophemesyl ether

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3.beta.,5.alpha.-Stigmastan-3ol, flophemesyl ether
SpectraBase Compound ID 6S6Aa73NsM3
InChI InChI=1S/C37H57F5OSi/c1-9-23(21(2)3)11-10-22(4)27-14-15-28-26-13-12-24-20-25(16-18-36(24,5)29(26)17-19-37(27,28)6)43-44(7,8)35-33(41)31(39)30(38)32(40)34(35)42/h21-29H,9-20H2,1-8H3
InChIKey VXYXUPDJJOCBPF-UHFFFAOYSA-N
Mol Weight 640.9 g/mol
Molecular Formula C37H57F5OSi
Exact Mass 640.409884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DX2GkfO9Ry7
Name 3.beta.,5.alpha.-Stigmastan-3ol, flophemesyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.409883804 u
Formula C37H57F5OSi
InChI InChI=1S/C37H57F5OSi/c1-9-23(21(2)3)11-10-22(4)27-14-15-28-26-13-12-24-20-25(16-18-36(24,5)29(26)17-19-37(27,28)6)43-44(7,8)35-33(41)31(39)30(38)32(40)34(35)42/h21-29H,9-20H2,1-8H3
InChIKey VXYXUPDJJOCBPF-UHFFFAOYSA-N
Molecular Weight 640.939 g/mol
SMILES C12(CCC(CC2CCC2C1CCC1(C2CCC1C(CCC(C(C)C)CC)C)C)O[Si](C)(C)C1=C(C(=C(C(=C1F)F)F)F)F)C