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19-Norpregna-1,3,5(10),20-tetraen-3-ol, acetate

View entire compound with spectra: 1 MS (GC)

19-Norpregna-1,3,5(10),20-tetraen-3-ol, acetate
SpectraBase Compound ID 1EcDZo6dtJ7
InChI InChI=1S/C22H28O2/c1-4-16-6-10-21-20-8-5-15-13-17(24-14(2)23)7-9-18(15)19(20)11-12-22(16,21)3/h4,7,9,13,16,19-21H,1,5-6,8,10-12H2,2-3H3/t16-,19+,20+,21-,22+/m0/s1
InChIKey GJHZLIBHCMLVSE-LOONRQLCSA-N
Mol Weight 324.46 g/mol
Molecular Formula C22H28O2
Exact Mass 324.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaHoRZTU8QN
Name 19-Norpregna-1,3,5(10),20-tetraen-3-ol, acetate
Alternate Name(s) (17beta)-17-vinylestra-1,3,5(10)-trien-3-yl acetate 3-Acetyl-19-norpregna-1,3,5(10),20-tetraen-3-ol
CAS Registry Number 97560-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2
InChI InChI=1S/C22H28O2/c1-4-16-6-10-21-20-8-5-15-13-17(24-14(2)23)7-9-18(15)19(20)11-12-22(16,21)3/h4,7,9,13,16,19-21H,1,5-6,8,10-12H2,2-3H3/t16-,19+,20+,21-,22+/m0/s1
InChIKey GJHZLIBHCMLVSE-LOONRQLCSA-N
Molecular Weight 324.464 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC(=O)C)c4)[H])(CC[C@@]1(C=C)[H])[H])C
SPLASH splash10-0006-9260000000-e09b8e2600c4c6364862
Source of Spectrum B-38-572-11
Wiley ID 1323694