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21-Acetoxy-2-hydroxypregna-1,4-diene-3,20-dione - 20-ethylene Ketal
SpectraBase Compound ID LQBBCoMzv5f
InChI InChI=1S/C25H34O6/c1-15(26)29-14-25(30-10-11-31-25)22-7-6-18-17-5-4-16-12-20(27)21(28)13-24(16,3)19(17)8-9-23(18,22)2/h12-13,17-19,22,28H,4-11,14H2,1-3H3/t17-,18-,19-,22-,23-,24-/m0/s1
InChIKey HTESWNAXSNCIDI-RWLNTESRSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 757VzaDp6vI
Name 21-Acetoxy-2-hydroxypregna-1,4-diene-3,20-dione - 20-ethylene Ketal
Comments Less than 3 mono-isotopic peaks
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Formula C25H34O6
InChI InChI=1S/C25H34O6/c1-15(26)29-14-25(30-10-11-31-25)22-7-6-18-17-5-4-16-12-20(27)21(28)13-24(16,3)19(17)8-9-23(18,22)2/h12-13,17-19,22,28H,4-11,14H2,1-3H3/t17-,18-,19-,22-,23-,24-/m0/s1
InChIKey HTESWNAXSNCIDI-RWLNTESRSA-N
Molecular Weight 430.541 g/mol
SMILES OC1=C[C@]2(C(=CC1=O)CC[C@]1([C@@]3(CC[C@](C4(OCCO4)COC(=O)C)([C@]3(CC[C@]21[H])C)[H])[H])[H])C
SPLASH splash10-0a4i-0009000000-a2a3e8547940504d798b
Source of Spectrum D8-330-121-16
Synonyms {2-[(17beta)-2-hydroxy-3-oxoandrosta-1,4-dien-17-yl]-1,3-dioxolan-2-yl}methyl acetate
Wiley ID 1516407