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

*Links on SpectraBase are not permalinks.

5.alpha.-Androstan-17.beta.-ol-3-one, pentafluoropropionate

View entire compound with spectra: 1 NMR

5.alpha.-Androstan-17.beta.-ol-3-one, pentafluoropropionate
SpectraBase Compound ID 9ZM6PYyW90m
InChI InChI=1S/C22H29F5O3/c1-19-9-7-13(28)11-12(19)3-4-14-15-5-6-17(20(15,2)10-8-16(14)19)30-18(29)21(23,24)22(25,26)27/h12,14-17H,3-11H2,1-2H3
InChIKey CJCPOPVALXHTQY-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H29F5O3
Exact Mass 436.203686 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 HJZ08ttRWTS
Name 5.alpha.-Androstan-17.beta.-ol-3-one, pentafluoropropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.203685606 u
Formula C22H29F5O3
InChI InChI=1S/C22H29F5O3/c1-19-9-7-13(28)11-12(19)3-4-14-15-5-6-17(20(15,2)10-8-16(14)19)30-18(29)21(23,24)22(25,26)27/h12,14-17H,3-11H2,1-2H3
InChIKey CJCPOPVALXHTQY-UHFFFAOYSA-N
Molecular Weight 436.463 g/mol
SMILES CC12CCC(CC2CCC2C1CCC1(C)C2CCC1OC(C(C(F)(F)F)(F)F)=O)=O