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Androst-4-ene-6-acetic acid, 17-hydroxy-3-oxo-, methyl ester, (6.alpha.,17.beta.)-
SpectraBase Compound ID 8ro7ZtQnJaD
InChI InChI=1S/C22H32O4/c1-21-8-6-14(23)12-18(21)13(11-20(25)26-3)10-15-16-4-5-19(24)22(16,2)9-7-17(15)21/h12-13,15-17,19,24H,4-11H2,1-3H3/t13-,15+,16+,17+,19+,21-,22+/m1/s1
InChIKey VZUAABWHJGHTDU-PBNRBVCMSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExiZTbuk7Eg
Name Androst-4-ene-6-acetic acid, 17-hydroxy-3-oxo-, methyl ester, (6.alpha.,17.beta.)-
Alternate Name(s) Methyl 17.beta.-hydroxy-3-oxoandrost-4-en-6.alpha.-ylacetate Methyl[(6alpha,17beta)-17-hydroxy-3-oxoandrost-4-en-6-yl]acetate
CAS Registry Number 65011-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-21-8-6-14(23)12-18(21)13(11-20(25)26-3)10-15-16-4-5-19(24)22(16,2)9-7-17(15)21/h12-13,15-17,19,24H,4-11H2,1-3H3/t13-,15+,16+,17+,19+,21-,22+/m1/s1
InChIKey VZUAABWHJGHTDU-PBNRBVCMSA-N
Molecular Weight 360.494 g/mol
SMILES O[C@@]1([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(C[C@@](C=1[C@@]3(CCC(=O)C1)C)(CC(=O)OC)[H])[H])[H])C)[H]
SPLASH splash10-0udi-0912000000-460fde0e3dc79de72087
Source of Spectrum B-30-2175-0
Wiley ID 1348539