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(22E)-Stigmasta-4,7,22-trien-3-ol

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(22E)-Stigmasta-4,7,22-trien-3-ol
SpectraBase Compound ID AOiyPoKDNoY
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,18-21,23,25-27,30H,7,10,12-17H2,1-6H3/b9-8+
InChIKey YUGNYXKLALBWEW-CMDGGOBGSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3n0AQ5V5bm
Name (22E)-Stigmasta-4,7,22-trien-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.354866100 u
Formula C29H46O
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,18-21,23,25-27,30H,7,10,12-17H2,1-6H3/b9-8+
InChIKey YUGNYXKLALBWEW-CMDGGOBGSA-N
Molecular Weight 410.686 g/mol
SMILES CCC(\C=C\C(C)C1CCC2C3=CCC4=CC(O)CCC4(C)C3CCC12C)C(C)C