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11.beta.-Hydroxy-20-phenylpregn-4,20-dien-3-one
SpectraBase Compound ID L3JTz5SVj4B
InChI InChI=1S/C27H34O2/c1-17(18-7-5-4-6-8-18)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,2)25(21)24(29)16-27(22,23)3/h4-8,15,21-25,29H,1,9-14,16H2,2-3H3/t21-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKey QIJJUJTZOSVSPE-XMVZRQGPSA-N
Mol Weight 390.6 g/mol
Molecular Formula C27H34O2
Exact Mass 390.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FR7rxbhiQr
Name 11.beta.-Hydroxy-20-phenylpregn-4,20-dien-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C27H34O2
InChI InChI=1S/C27H34O2/c1-17(18-7-5-4-6-8-18)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,2)25(21)24(29)16-27(22,23)3/h4-8,15,21-25,29H,1,9-14,16H2,2-3H3/t21-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKey QIJJUJTZOSVSPE-XMVZRQGPSA-N
Molecular Weight 390.567 g/mol
SMILES O[C@]1(C[C@]2([C@]([C@@]3(CCC4=CC(CC[C@@]4([C@@]13[H])C)=O)[H])(CC[C@@]2(C(=C)c1ccccc1)[H])[H])C)[H]
SPLASH splash10-00dl-0009000000-1f82129bfe1964409006
Source of Spectrum Y5-61-6-0
Synonyms (11beta)-11-hydroxy-20-phenylpregna-4,20-dien-3-one
Wiley ID 879389