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Androstane-3,17-diol, 17-methyl-, (3.alpha.,5.alpha.,17.beta.)-, 3-acetate

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

Androstane-3,17-diol, 17-methyl-, (3.alpha.,5.alpha.,17.beta.)-, 3-acetate
SpectraBase Compound ID 6Vl0D5WXRr6
InChI InChI=1S/C22H36O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h15-19,24H,5-13H2,1-4H3
InChIKey FICAILCZWWKTGD-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kXkWMmaRqX
Name Androstane-3,17-diol, 17-methyl-, (3.alpha.,5.alpha.,17.beta.)-, 3-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.266445016 u
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-14(23)25-16-7-10-20(2)15(13-16)5-6-17-18(20)8-11-21(3)19(17)9-12-22(21,4)24/h15-19,24H,5-13H2,1-4H3
InChIKey FICAILCZWWKTGD-UHFFFAOYSA-N
Molecular Weight 348.527 g/mol
SMILES C1C(CC2C(C1)(C1C(CC2)C2C(C(O)(C)CC2)(C)CC1)C)OC(C)=O