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5-Pregnen-6-methyl-3β-ol-20-one acetate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5-Pregnen-6-methyl-3β-ol-20-one acetate
SpectraBase Compound ID F7LnWIAMJ2w
InChI InChI=1S/C24H36O3/c1-14-12-18-20-7-6-19(15(2)25)23(20,4)11-9-21(18)24(5)10-8-17(13-22(14)24)27-16(3)26/h17-21H,6-13H2,1-5H3/t17-,18-,19+,20-,21-,23+,24+/m0/s1
InChIKey GMILDXZMQHJWRG-SAGKYWRTSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DX64JylFXLS
Name 5-Pregnen-6-methyl-3beta-ol-20-one acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-14-12-18-20-7-6-19(15(2)25)23(20,4)11-9-21(18)24(5)10-8-17(13-22(14)24)27-16(3)26/h17-21H,6-13H2,1-5H3/t17-,18-,19+,20-,21-,23+,24+/m0/s1
InChIKey GMILDXZMQHJWRG-SAGKYWRTSA-N
Molecular Weight 372.549 g/mol
SMILES C1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC(=C2C[C@](C1)(OC(C)=O)[H])C)[H])[H])(C(C)=O)[H])C)[H])C