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2,3,4-Trihydroxy-pregnan-16-one
SpectraBase Compound ID 1IPSsWMOXR0
InChI InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14?,15+,17?,18?,19?,20-,21-/m1/s1
InChIKey JHBBZIAPXDEPET-WKBNHCPHSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHJozCsQCMX
Name 2,3,4-Trihydroxy-pregnan-16-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-4-12-16(22)9-15-11-5-6-14-18(24)19(25)17(23)10-21(14,3)13(11)7-8-20(12,15)2/h11-15,17-19,23-25H,4-10H2,1-3H3/t11-,12+,13+,14?,15+,17?,18?,19?,20-,21-/m1/s1
InChIKey JHBBZIAPXDEPET-WKBNHCPHSA-N
Molecular Weight 350.499 g/mol
SMILES OC1C(C(C[C@]2(C1CC[C@@]1([C@@]2(CC[C@@]2([C@](C(C[C@@]12[H])=O)(CC)[H])C)[H])[H])C)O)O
SPLASH splash10-01qj-0096000000-73047fa1b396f488fb87
Source of Spectrum X2-54-977-9
Synonyms (8R,9S,10R,13S,14S,17R)-17-ethyl-10,13-dimethyl-2,3,4-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
Wiley ID 1604088