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Methyl 3.beta.-hydroxy-24-nor-9,10-secochol-5,7,10(19)-trien-23-oate

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Methyl 3.beta.-hydroxy-24-nor-9,10-secochol-5,7,10(19)-trien-23-oate
SpectraBase Compound ID iUQDfrrHpC
InChI InChI=1S/C24H36O3/c1-16-7-10-20(25)15-19(16)9-8-18-6-5-13-24(3)21(11-12-22(18)24)17(2)14-23(26)27-4/h8-9,17,20-22,25H,1,5-7,10-15H2,2-4H3/b18-8+,19-9+/t17-,20+,21-,22+,24-/m1/s1
InChIKey REKOVYVAHDVLKH-PYSQNYEOSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMwd8rcIZeu
Name Methyl 3.beta.-hydroxy-24-nor-9,10-secochol-5,7,10(19)-trien-23-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-16-7-10-20(25)15-19(16)9-8-18-6-5-13-24(3)21(11-12-22(18)24)17(2)14-23(26)27-4/h8-9,17,20-22,25H,1,5-7,10-15H2,2-4H3/b18-8+,19-9+/t17-,20+,21-,22+,24-/m1/s1
InChIKey REKOVYVAHDVLKH-PYSQNYEOSA-N
Molecular Weight 372.549 g/mol
SMILES [C@]12([C@](\C(=C\C=C\3C(CC[C@@](C3)(O)[H])=C)CCC1)(CC[C@@]2([C@@](CC(=O)OC)(C)[H])[H])[H])C