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6.beta.-Methylpregn-4-en-3-one
SpectraBase Compound ID 8K2Dxjbasyu
InChI InChI=1S/C22H34O/c1-5-15-6-7-18-17-12-14(2)20-13-16(23)8-10-22(20,4)19(17)9-11-21(15,18)3/h13-15,17-19H,5-12H2,1-4H3/t14-,15+,17+,18+,19+,21-,22-/m1/s1
InChIKey MUJQKSBSAAQTST-VBIVFSJDSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvvVNSEmGxV
Name 6.beta.-Methylpregn-4-en-3-one
Alternate Name(s) (6beta)-6-methylpregn-4-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/c1-5-15-6-7-18-17-12-14(2)20-13-16(23)8-10-22(20,4)19(17)9-11-21(15,18)3/h13-15,17-19H,5-12H2,1-4H3/t14-,15+,17+,18+,19+,21-,22-/m1/s1
InChIKey MUJQKSBSAAQTST-VBIVFSJDSA-N
Molecular Weight 314.513 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)[C@](C)(C[C@@]2([C@@]1(CC[C@@]1([C@@](CC)(CC[C@@]21[H])[H])C)[H])[H])[H])C
SPLASH splash10-01ot-1595000000-d48111e9aa9a60570c79
Source of Spectrum PS-50-1737-10
Wiley ID 1315708