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Pregnane-3,6,20-triol, (3.beta.,5.beta.,6.beta.,20R)-
SpectraBase Compound ID Lp7MGO2gYzG
InChI InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18+,19-,20-,21-/m1/s1
InChIKey SWHHMTKXNOSPLE-VPHMXRFGSA-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 3DANTE7W76
Name Pregnane-3,6,20-triol, (3.beta.,5.beta.,6.beta.,20R)-
CAS Registry Number 70286-66-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18+,19-,20-,21-/m1/s1
InChIKey SWHHMTKXNOSPLE-VPHMXRFGSA-N
Molecular Weight 336.516 g/mol
SMILES O[C@@]([C@@]1([C@]2(CC[C@]3([C@@](C[C@]([C@]4([C@@]3(CC[C@@](C4)(O)[H])C)[H])(O)[H])([C@@]2(CC1)[H])[H])[H])C)[H])(C)[H]
SPLASH splash10-000y-9220000000-c0042e2f8254a43cf5bb
Source of Spectrum O-13-451-1
Synonyms (3beta,5beta,6beta,20R)-pregnane-3,6,20-triol 3.beta.,6.beta.,20.beta.-trihydroxy-5.beta.-pregnane
Wiley ID 1332708