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Androst-4-en-3-one, 2,17,19-tris(acetyloxy)-, (2.alpha.,17.beta.)-
SpectraBase Compound ID GofRE9OvRQx
InChI InChI=1S/C25H34O7/c1-14(26)30-13-25-12-22(31-15(2)27)21(29)11-17(25)5-6-18-19-7-8-23(32-16(3)28)24(19,4)10-9-20(18)25/h11,18-20,22-23H,5-10,12-13H2,1-4H3/t18-,19-,20-,22+,23-,24-,25+/m0/s1
InChIKey XJRZSSCQJDUZCH-BTRFTSHOSA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYCEQHW6vn6
Name Androst-4-en-3-one, 2,17,19-tris(acetyloxy)-, (2.alpha.,17.beta.)-
CAS Registry Number 117103-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O7
InChI InChI=1S/C25H34O7/c1-14(26)30-13-25-12-22(31-15(2)27)21(29)11-17(25)5-6-18-19-7-8-23(32-16(3)28)24(19,4)10-9-20(18)25/h11,18-20,22-23H,5-10,12-13H2,1-4H3/t18-,19-,20-,22+,23-,24-,25+/m0/s1
InChIKey XJRZSSCQJDUZCH-BTRFTSHOSA-N
Molecular Weight 446.540 g/mol
SMILES [C@@]12(C(=CC([C@@](C2)(OC(=O)C)[H])=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(OC(=O)C)[H])[H])[H])COC(=O)C
SPLASH splash10-0006-7009100000-f372091fcbc16de93d03
Source of Spectrum KC-1990-2902-16
Synonyms (2alpha,17beta)-17,19-bis(acetyloxy)-3-oxoandrost-4-en-2-yl acetate 2.alpha.,17.beta.,19-triacetoxyandrost-4-en-3-one
Wiley ID 1386649