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

*Links on SpectraBase are not permalinks.

Pregnan-20-one, 18-iodo-, (5.alpha.,17.alpha.)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Pregnan-20-one, 18-iodo-, (5.alpha.,17.alpha.)-
SpectraBase Compound ID eb5KKk8pf7
InChI InChI=1S/C21H33IO/c1-14(23)17-8-9-19-16-7-6-15-5-3-4-11-20(15,2)18(16)10-12-21(17,19)13-22/h15-19H,3-13H2,1-2H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey HZAOPKWZZRPCGW-OGNRNXDYSA-N
Mol Weight 428.4 g/mol
Molecular Formula C21H33IO
Exact Mass 428.157611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID EEO4TmiMFmN
Name Pregnan-20-one, 18-iodo-, (5.alpha.,17.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.157610682 u
Formula C21H33IO
InChI InChI=1S/C21H33IO/c1-14(23)17-8-9-19-16-7-6-15-5-3-4-11-20(15,2)18(16)10-12-21(17,19)13-22/h15-19H,3-13H2,1-2H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey HZAOPKWZZRPCGW-OGNRNXDYSA-N
Molecular Weight 428.398 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@]1(C(=O)C)[H])[H])CI