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Pregn-5-ene-3,21-diol, 20-methyl-, 21-acetate, (3.beta.,20S)-
SpectraBase Compound ID L4zLZEmXggS
InChI InChI=1S/C24H38O3/c1-15(14-27-16(2)25)20-7-8-21-19-6-5-17-13-18(26)9-11-23(17,3)22(19)10-12-24(20,21)4/h5,15,18-22,26H,6-14H2,1-4H3/t15-,18+,19?,20-,21?,22?,23+,24-/m1/s1
InChIKey JHODWVUVWQQBHM-MIXHHSLWSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUk1Tv8haUC
Name Pregn-5-ene-3,21-diol, 20-methyl-, 21-acetate, (3.beta.,20S)-
CAS Registry Number 65120-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-15(14-27-16(2)25)20-7-8-21-19-6-5-17-13-18(26)9-11-23(17,3)22(19)10-12-24(20,21)4/h5,15,18-22,26H,6-14H2,1-4H3/t15-,18+,19?,20-,21?,22?,23+,24-/m1/s1
InChIKey JHODWVUVWQQBHM-MIXHHSLWSA-N
Molecular Weight 374.565 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC[C@@]4([C@@](COC(=O)C)(C)[H])[H])C)C)[H]
SPLASH splash10-0a4l-4396000000-50287ebde7a21cc9569d
Source of Spectrum H-64-1884-0
Synonyms (20S)-(20-methyl-5-pregnen-3.beta.,21-diol)-21-acetate (2S)-2-[(2R,5S,14R,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]propyl acetate
Wiley ID 1356940