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Pregnane-3,11,20-triol, (3.alpha. 11.beta. 20.beta.-
SpectraBase Compound ID DxpXEYBqBP6
InChI InChI=1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3
InChIKey CZHLKVQGWWCQEG-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IEkCx894p6
Name Pregnane-3,11,20-triol, (3.alpha. 11.beta. 20.beta.-
Alternate Name(s) Pregnane-3,11,20-triol Pregnane-3.alpha.,11.beta.,20.beta.-triol
CAS Registry Number 10417-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3
InChIKey CZHLKVQGWWCQEG-UHFFFAOYSA-N
Molecular Weight 336.516 g/mol
SMILES OC(C1C2(C(C3CCC4CC(CCC4(C3C(C2)O)C)O)CC1)C)C
SPLASH splash10-052g-9731000000-496e090473b145b2103b
Source of Spectrum NP-18-8331-0
Wiley ID 1110075