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3,8,12,14-Tetrahydroxypregn-5-en-20-one
SpectraBase Compound ID EHnhYxYSIRN
InChI InChI=1S/C21H32O5/c1-12(22)15-6-9-21(26)19(15,3)17(24)11-16-18(2)7-5-14(23)10-13(18)4-8-20(16,21)25/h4,14-17,23-26H,5-11H2,1-3H3
InChIKey YETBVMVJLDSXHU-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaENbnXTqmv
Name 3,8,12,14-Tetrahydroxypregn-5-en-20-one
CAS Registry Number 7102-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-12(22)15-6-9-21(26)19(15,3)17(24)11-16-18(2)7-5-14(23)10-13(18)4-8-20(16,21)25/h4,14-17,23-26H,5-11H2,1-3H3
InChIKey YETBVMVJLDSXHU-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES OC12C3(C(C(CC2C2(C)C(=CC1)CC(CC2)O)O)(C(CC3)C(C)=O)C)O
SPLASH splash10-004l-8920000000-0a62550dcceb4ed26172
Source of Spectrum T-67-4195-0
Synonyms 1-(3,8,12,14-tetrahydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone 1-[10,13-dimethyl-3,8,12,14-tetrakis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 14.beta.,17.alpha.-Pregn-5-en-20-one, 3.beta.,8,12.beta.,14-tetrahydroxy- Pregn-5-en-20-one, 3,8,12,14-tetrahydroxy-, (3.beta.,12.beta.,14.beta.)- Pregn-5-en-20-one, 3,8,12,14-tetrahydroxy-, (3.beta.,12.beta.,14.beta.,17.alpha.)- 14.beta.-Pregn-5-en-20-one, 3.beta.,8,12.beta.,14-tetrahydroxy- Deacylcynanchogenin Desacylcynanchogenine Isolineolon Isolineolone Lineolon Lineolone
Wiley ID 53683