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Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-, isovalerate

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

Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-, isovalerate
SpectraBase Compound ID tPZJwpimt1
InChI InChI=1S/C24H38O3/c1-15(2)13-22(26)27-17-9-11-23(3)16(14-17)5-6-18-19-7-8-21(25)24(19,4)12-10-20(18)23/h15-20H,5-14H2,1-4H3
InChIKey VTMYWMBRCREQKR-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 87ETvyuXrli
Name Androstan-17-one, 3-hydroxy-, (3.alpha.,5.beta.)-, isovalerate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.282095081 u
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-15(2)13-22(26)27-17-9-11-23(3)16(14-17)5-6-18-19-7-8-21(25)24(19,4)12-10-20(18)23/h15-20H,5-14H2,1-4H3
InChIKey VTMYWMBRCREQKR-UHFFFAOYSA-N
Molecular Weight 374.565 g/mol
SMILES C1CC2(C(CC1OC(=O)CC(C)C)CCC1C2CCC2(C1CCC2=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909929