For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

26-Norcoprostan-16,22-epoxy-3.alpha.,25-diol 3-o-acetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

26-Norcoprostan-16,22-epoxy-3.alpha.,25-diol 3-o-acetyl-
SpectraBase Compound ID HmtXu3ASekj
InChI InChI=1S/C28H46O4/c1-16(29)6-9-24-17(2)26-25(32-24)15-23-21-8-7-19-14-20(31-18(3)30)10-12-27(19,4)22(21)11-13-28(23,26)5/h16-17,19-26,29H,6-15H2,1-5H3
InChIKey NLAQFBUOKJMMFE-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KV6vZ2LUL0v
Name 26-Norcoprostan-16,22-epoxy-3.alpha.,25-diol 3-o-acetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-16(29)6-9-24-17(2)26-25(32-24)15-23-21-8-7-19-14-20(31-18(3)30)10-12-27(19,4)22(21)11-13-28(23,26)5/h16-17,19-26,29H,6-15H2,1-5H3
InChIKey NLAQFBUOKJMMFE-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CC(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)OC(=O)C)C)C)C)O