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5.alpha.,14.beta.-Pregnan-15-one, 20-methyl-
SpectraBase Compound ID K00KD7vPrOs
InChI InChI=1S/C22H36O/c1-14(2)18-13-19(23)20-16-9-8-15-7-5-6-11-21(15,3)17(16)10-12-22(18,20)4/h14-18,20H,5-13H2,1-4H3/t15-,16-,17+,18-,20+,21+,22-/m1/s1
InChIKey SQVGYHOZDQEEOG-IEMMZTIOSA-N
Mol Weight 316.5 g/mol
Molecular Formula C22H36O
Exact Mass 316.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y9XsDBJQ9n
Name 5.alpha.,14.beta.-Pregnan-15-one, 20-methyl-
CAS Registry Number 14111-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O
InChI InChI=1S/C22H36O/c1-14(2)18-13-19(23)20-16-9-8-15-7-5-6-11-21(15,3)17(16)10-12-22(18,20)4/h14-18,20H,5-13H2,1-4H3/t15-,16-,17+,18-,20+,21+,22-/m1/s1
InChIKey SQVGYHOZDQEEOG-IEMMZTIOSA-N
Molecular Weight 316.529 g/mol
SMILES [C@@]12([C@@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(C(=O)C[C@@]1(C(C)C)[H])[H])C
SPLASH splash10-000i-8900000000-86e8ff7485777d71400f
Source of Spectrum SD-1981-0-0
Synonyms (1S,2S,7R,10R,11R,14R,15R)-2,15-dimethyl-14-(propan-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-12-one
Wiley ID 1317389