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D-Homopregn-4-ene-3,12,15,20-tetrone
SpectraBase Compound ID GwxQtvuJqB2
InChI InChI=1S/C22H28O4/c1-12(23)13-8-18(25)20-16-5-4-14-9-15(24)6-7-21(14,2)17(16)10-19(26)22(20,3)11-13/h9,13,16-17,20H,4-8,10-11H2,1-3H3/t13?,16?,17?,20?,21-,22-/m0/s1
InChIKey ATRHNGGGQMWUNQ-LATHGFIZSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5Kys04nTwQ
Name D-Homopregn-4-ene-3,12,15,20-tetrone
CAS Registry Number 72921-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-12(23)13-8-18(25)20-16-5-4-14-9-15(24)6-7-21(14,2)17(16)10-19(26)22(20,3)11-13/h9,13,16-17,20H,4-8,10-11H2,1-3H3/t13?,16?,17?,20?,21-,22-/m0/s1
InChIKey ATRHNGGGQMWUNQ-LATHGFIZSA-N
Molecular Weight 356.462 g/mol
SMILES [C@@]12(C(C3CCC=4[C@@](C3CC2=O)(CCC(=O)C4)C)C(=O)CC(C1)C(=O)C)C
SPLASH splash10-01ox-6249000000-c6a76e5dc5a170117aa5
Source of Spectrum K-113-219-0
Synonyms (4aR,6aR)-8-acetyl-4a,6a-dimethyl-4,4a,4b,5,6a,7,8,9,10a,10b,11,12-dodecahydro-2,6,10(3H)-chrysenetrione D-homo-4-pregnen-3,12,15,20-tetraone
Wiley ID 1346045