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17-Cholesten-3,16,22,27-tetraol

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17-Cholesten-3,16,22,27-tetraol
SpectraBase Compound ID 2sDxKP98HZy
InChI InChI=1S/C27H46O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-24,28-31H,5-15H2,1-4H3/b25-17+
InChIKey GEBBIUNJNURARC-KOEQRZSOSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ODIQOgyOuC
Name 17-Cholesten-3,16,22,27-tetraol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-24,28-31H,5-15H2,1-4H3/b25-17+
InChIKey GEBBIUNJNURARC-KOEQRZSOSA-N
Molecular Weight 434.661 g/mol
SMILES C1C(CC2C(C1)(C1CCC3(C(C1CC2)CC(\C3=C/(C)C(CCC(C)CO)O)O)C)C)O