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26-Norcoprost-24-en-16,22-epoxy-3.alpha.-ol benzoate
SpectraBase Compound ID HHZNdR3BTkp
InChI InChI=1S/C33H46O3/c1-5-6-12-28-21(2)30-29(36-28)20-27-25-14-13-23-19-24(35-31(34)22-10-8-7-9-11-22)15-17-32(23,3)26(25)16-18-33(27,30)4/h5-11,21,23-30H,12-20H2,1-4H3/b6-5-
InChIKey WUTSRQPPRGJOQP-WAYWQWQTSA-N
Mol Weight 490.7 g/mol
Molecular Formula C33H46O3
Exact Mass 490.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8igr5jOZOSR
Name 26-Norcoprost-24-en-16,22-epoxy-3.alpha.-ol benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.344695338 u
Formula C33H46O3
InChI InChI=1S/C33H46O3/c1-5-6-12-28-21(2)30-29(36-28)20-27-25-14-13-23-19-24(35-31(34)22-10-8-7-9-11-22)15-17-32(23,3)26(25)16-18-33(27,30)4/h5-11,21,23-30H,12-20H2,1-4H3/b6-5-
InChIKey WUTSRQPPRGJOQP-WAYWQWQTSA-N
Molecular Weight 490.728 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(C\C=C/C)O1)C)C)OC(C1=CC=CC=C1)=O