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Cortisol
SpectraBase Compound ID EeiU30bYg32
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey JYGXADMDTFJGBT-VWUMJDOOSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Maq01OLI
Name 11.BETA.,17.ALPHA.,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE
CAS Registry Number 116907-82-5
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey JYGXADMDTFJGBT-VWUMJDOOSA-N
Molecular Weight 362.466 g/mol
Nominal Mass 362 u
Number of Peaks 303
SMILES OCC([C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3([C@](C[C@]12C)(O)[H])[H])C)=O)[H])[H])O)=O
SPLASH splash10-0006-7952000000-d9f7f48d00f437689a8d
Source File Reference LMCM-45321-347K
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms 11BETA,17ALPHA,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE 11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 8_39883