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3-Debenzoyl-tetrahydrocarpesterol

View entire compound with spectra: 1 NMR

3-Debenzoyl-tetrahydrocarpesterol
SpectraBase Compound ID 5mTbc11UGPV
InChI InChI=1S/C30H54O3/c1-8-20(17(2)3)15-26(32)18(4)22-9-10-23-21-16-27(33)28-19(5)25(31)12-14-30(28,7)24(21)11-13-29(22,23)6/h17-28,31-33H,8-16H2,1-7H3
InChIKey QIYQTYVDGCKDQU-UHFFFAOYSA-N
Mol Weight 462.8 g/mol
Molecular Formula C30H54O3
Exact Mass 462.407296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjN3tmEYeoM
Name 3-Debenzoyl-tetrahydrocarpesterol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.407295596 u
Formula C30H54O3
InChI InChI=1S/C30H54O3/c1-8-20(17(2)3)15-26(32)18(4)22-9-10-23-21-16-27(33)28-19(5)25(31)12-14-30(28,7)24(21)11-13-29(22,23)6/h17-28,31-33H,8-16H2,1-7H3
InChIKey QIYQTYVDGCKDQU-UHFFFAOYSA-N
Molecular Weight 462.759 g/mol
SMILES C1(CCC2(C(C1C)C(CC1C2CCC2(C1CCC2C(C)C(CC(CC)C(C)C)O)C)O)C)O