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5β-Androstan-3-one-17β-carboxylic acid, methyl ester
SpectraBase Compound ID J3ZDthGuHub
InChI InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3/t13-,15?,16?,17?,18-,20+,21+/m1/s1
InChIKey YSBQFDHILMUWPK-IIQOWLKGSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EpAsCTjASez
Name 5β-Androstan-3-one-17β-carboxylic acid, methyl ester
Source of Sample Steraloids Inc.
Catalog Number A3810-000
Lot Number 8370
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3/t13-,15?,16?,17?,18-,20+,21+/m1/s1
InChIKey YSBQFDHILMUWPK-IIQOWLKGSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 332.484 g/mol
SMILES C1[C@@]2(C3CC[C@@]4([C@](CCC4C3CC[C@@]2(CC(C1)=O)[H])(C(OC)=O)[H])C)C
Source of Spectrum Forensic Spectral Research
Synonyms 3-Ketoetiocholanic acid, methyl ester
Technique KBr1