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11alpha,15beta-dihydroxy-4-pregnene-3,20-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

11alpha,15beta-dihydroxy-4-pregnene-3,20-dione
SpectraBase Compound ID BNv2auQvfRH
InChI InChI=1S/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-,21+/m0/s1
InChIKey BXGCPPYCSCLHER-YWFCDVSRSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMvobEBAk7J
Name 11alpha,15beta-dihydroxy-4-pregnene-3,20-dione
Alternate Name(s) (11alpha,15beta)-11,15-dihydroxypregn-4-ene-3,20-dione 11.alpha.,15.beta.-dihydroxy-4-pregnene-3,20-dione 11alpha,15.beta.-dihydroxy-4-pregnene-3,20-dione
CAS Registry Number 82538-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-11(22)15-9-16(24)18-14-5-4-12-8-13(23)6-7-20(12,2)19(14)17(25)10-21(15,18)3/h8,14-19,24-25H,4-7,9-10H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-,21+/m0/s1
InChIKey BXGCPPYCSCLHER-YWFCDVSRSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@@]1(C[C@]2([C@@]([C@@](C[C@@]2(C(=O)C)[H])(O)[H])([C@@]2(CCC=3[C@@]([C@@]12[H])(CCC(C3)=O)C)[H])[H])C)[H]
SPLASH splash10-01vn-5955000000-1b668ad31856b49ce824
Source of Spectrum W5-1989-32630-1
Wiley ID 1339494