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(8.beta.)-Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-ol
SpectraBase Compound ID 7nrgILCwFuO
InChI InChI=1S/C17H28O3/c1-12(2)13-8-9-14-15(18)6-4-10-17(13,14)11-5-7-16(19)20-3/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15+,17+/m1/s1
InChIKey NYGPCOVWLKZULR-AESZEHBQSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CocCs8Cb7zd
Name (8.beta.)-Des-A,B-18-[2-(methoxycarbonyl)ethyl]-20-methylpregn-20-en-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-12(2)13-8-9-14-15(18)6-4-10-17(13,14)11-5-7-16(19)20-3/h13-15,18H,1,4-11H2,2-3H3/t13-,14+,15+,17+/m1/s1
InChIKey NYGPCOVWLKZULR-AESZEHBQSA-N
Molecular Weight 280.408 g/mol
SMILES O[C@@]1([C@]2([C@]([C@](CC2)(C(=C)C)[H])(CCCC(=O)OC)CCC1)[H])[H]
SPLASH splash10-014i-0960000000-0a3e99bca9964d2f4666
Source of Spectrum J-67-4712-15
Synonyms 4-[(3R,3aS,7S,7aR)-7-hydroxy-3-(1-methylethenyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoic acid methyl ester Methyl 4-[(3R,3aS,7S,7aR)-7-hydroxy-3-prop-1-en-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate Methyl 4-[(3R,3aS,7S,7aR)-7-hydroxy-3-isopropenyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate Methyl 4-[(3R,3aS,7S,7aR)-7-oxidanyl-3-prop-1-en-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl]butanoate
Wiley ID 1570234