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Stigmasterone

View entire compound with spectra: 1 NMR

Stigmasterone
SpectraBase Compound ID 7sntRj8RfHv
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/h8-10,19-21,24-27H,7,11-18H2,1-6H3/b9-8+
InChIKey XWDAKKDQJHVMKG-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 JxKgKMG3805
Name Stigmasterone
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/h8-10,19-21,24-27H,7,11-18H2,1-6H3/b9-8+
InChIKey XWDAKKDQJHVMKG-CMDGGOBGSA-N
Molecular Weight 410.686 g/mol
SMILES C1C(CC=2C(C1)(C1C(CC2)C2C(C(C(C)\C=C\C(CC)C(C)C)CC2)(C)CC1)C)=O