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21.xi-Methyl-17-isocholest-5-en-3.beta.,16.xi-diol

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21.xi-Methyl-17-isocholest-5-en-3.beta.,16.xi-diol
SpectraBase Compound ID 4kI03OsiQBx
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9-10,17-25,28-29H,6-8,11-16H2,1-5H3
InChIKey NVXIZKAXYNFLOM-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GA17IB2CMS
Name 21.xi-Methyl-17-isocholest-5-en-3.beta.,16.xi-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.349780719 u
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)25-24(29)16-23-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h9-10,17-25,28-29H,6-8,11-16H2,1-5H3
InChIKey NVXIZKAXYNFLOM-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES C1(CCC2(C(C1)C=CC1C2CCC2(C1CC(C2C(CCCC(C)C)C)O)C)C)O